Authors: Bardh Hoxha, Oliver Sch\"on, Hideki Okamoto, Lars Lindemann, Georgios Fainekos
Abstract: We study certified runtime monitoring of past-time signal temporal logic (ptSTL) from visual observations under partial observability. The monitor must infer safety-relevant quantities from images and provide finite-sample guarantees, while being \emph{reusable}: once trained and calibrated, it should certify any formula in a target fragment without per-formula retraining. For fragments induced by a finite dictionary of temporal atoms, we prove that the \emph{semantic basis}, the vector of atom robustness scores, is the minimum prediction target within the class of monotone, 1-Lipschitz reusable interfaces: any formula is evaluated by a deterministic decoder derived from the parse tree, and a single conformal calibration pass certifies the entire fragment with no union bound. We also introduce a \emph{rolling prediction monitor} that predicts only current predicate values and reconstructs temporal history online; this is easier to learn but grows conservative at long horizons. On a pedestrian-crossroad benchmark, rolling achieves tighter certified bounds at short horizons while the semantic-basis monitor is up to 4-times tighter at long horizons. We validate the presented monitors on real-world Waymo driving data, where both monitors satisfy the conformal coverage guarantee empirically.
Authors: William Lehn-Schi{\o}ler, Magnus Ruud Kj{\ae}r, Rahul Thapa, Magnus Guldberg Pedersen, Anton Storgaard Mosquera, Nick Williams, Radu Gatej, Tue Lehn-Schi{\o}ler, S\'andor Beniczky, Sadasivan Puthusserypady, James Zou, Lars Kai Hansen
Abstract: EEG foundation models achieve state-of-the-art clinical performance, yet the internal computations driving their predictions remain opaque: a barrier to clinical trust. We apply TopK Sparse Autoencoders (SAEs) across three architecturally distinct EEG transformers: SleepFM, REVE, and LaBraM to extract sparse feature dictionaries from their embeddings. By grounding these features in a clinical taxonomy (abnormality, age, sex, and medication), we benchmark monosemanticity and entanglement across architectures. A single hyperparameter procedure, driven by an intrinsic dictionary health audit, transfers robustly across all three architectures. Via concept steering, we introduce a "target vs. off-target" probe area metric to quantify steering selectivity and reveal three operational regimes: selectively steerable, encoded but entangled, and non-encoded. This framework exposes critical representational failures: "wrecking-ball" interventions that collapse global model performance, and clinical entanglements, such as age-pathology confounding, where it is impossible to suppress one concept without corrupting the other. Finally, a spectral decoder maps these interventions back to the amplitude spectrum, translating latent manipulations into physiologically interpretable frequency signatures, such as pathological slow-wave suppression and $\alpha$-band restoration.
Authors: Zhuohao Lin, Kun Li, Jiameng Chen, Jiajun Yu, Duanhua Cao, Yizhen Zheng, Wenbin Hu
Abstract: Robust prediction of molecular properties under extreme out-of-distribution (OOD) scenarios is a pivotal bottleneck in AI-driven drug discovery. Current scaffold-splitting protocols fail to obstruct microscopic semantic overlap, predisposing models to shortcut learning and overestimating their true extrapolation capability; meanwhile, conventional domain adaptation paradigms suffer under extreme structural shifts, as blindly aligning heterogeneous source libraries injects topological noise and triggers negative transfer. To address these two challenges, scaffold-cluster out-of-distribution performance evaluation benchmark (SCOPE-BENCH), a benchmark built on cluster-level partitioning in an explicit physicochemical descriptor space, is proposed alongside policy optimization for multi-source adaptation (POMA), a framework that formulates knowledge transfer as a retrieve-compose-adapt pipeline: labeled source scaffolds structurally close to the unlabeled target are first identified as proxy targets; a reinforcement learning policy then adaptively selects the optimal source subset from an exponentially large candidate pool; and dual-scale domain adaptation is finally performed at macroscopic topological and microscopic pharmacophore scales. Evaluations show that prediction errors of state-of-the-art 3D molecular models surge by up to 8.0x on SCOPE-BENCH with a mean of 5.9x, while POMA achieves up to an 11.2% reduction in mean absolute error with an average relative improvement of 6.2% across diverse backbone architectures. Code is available at https://anonymous.4open.science/r/Molecular-OOD-Code-73F6.
URLs: https://anonymous.4open.science/r/Molecular-OOD-Code-73F6.
Authors: Gaurav Rudravaram, Lianrui Zuo, Karthik Ramadass, Elyssa McMaster, Jongyeon Yoon, Aravind R. Krishnan, Adam M. Saunders, Chenyu Gao, Nancy R. Newlin, Praitayini Kanakaraj, Lori L. Beason Held, Murat Bilgel, Laura A. Barquero, Micah DArchangel, Tin Q. Nguyen, Laurie B. Cutting, Derek Archer, Timothy J. Hohman, Daniel C. Moyer, Bennett A. Landman
Abstract: Acquisition differences across sites, scanners, and protocols in dMRI introduce variability that complicates structural connectome analysis. This motivates deep learning models that can represent high-dimensional connectomes in a low-dimensional space while explicitly separating acquisition-related effects from biological variation. Conventional dimensionality reduction methods model all variance as continuous, so acquisition effects often get absorbed into a continuous latent space. Recent hybrid latent-space models combine discrete and continuous components to address this, but typically require manual capacity tuning to ensure the discrete component captures the intended variability. We introduce an unsupervised framework that removes this manual tuning by architecturally annealing encoder outputs before decoding, allowing the model to adaptively balance discrete and continuous latent variables during training. To evaluate it, we curated a dataset of N=7,416 structural connectomes derived from dMRI, spanning ages 2 to 102 and 13 studies with 25 unique acquisition-parameter combinations. Of these, 5,900 are cognitively unimpaired, 877 have mild cognitive impairment (MCI), and 639 have Alzheimer's disease (AD). We compare against a standard VAE, PCA with k-means clustering, and hybrid models that anneal only through the loss function. Our architectural annealing produces stronger site learning (ARI=0.53, p<0.05) than these baselines. Results show that a hybrid continuous-discrete latent space, with architectural rather than loss-based annealing, provides a useful unsupervised mechanism for capturing acquisition variability in dMRI: by jointly modeling smooth and categorical structure, the Joint-VAE recovers clusters aligned with scanner and protocol differences.
Authors: Saba Ahmadi, Prasanna Parthasarathi, Yufei Cui
Abstract: Diffusion language models are a promising alternative to autoregressive models, yet post-training methods for them largely adapt reward-maximizing objectives. We identify a central failure mode in this setting we call trajectory locking: sampled reward-driven updates over-concentrate probability mass onto a narrow set of denoising paths, reducing coverage of alternative correct solutions under repeated sampling. To address this, we propose TraFL (Trajectory Flow baLancing), a trajectory-balance objective that trains the policy toward a reward-tilted target distribution anchored to a frozen reference model. We make this practical for diffusion language models with a diffusion-compatible sequence-level surrogate and a learned prompt-dependent normalization. Across mathematical reasoning and code generation benchmarks, TraFL is the only evaluated post-training method that improves over the base model in every benchmark-length setting, with gains that persist as the sampling budget increases. The improvements transfer to held-out evaluations: TraFL stays above the base model on Minerva Math and is the strongest method on every LiveCodeBench difficulty split.
Authors: Daniel M. Jimenez-Gutierrez, Enrique Zuazua, Georgios Kellaris, Joaquin del Rio, Oleksii Sliusarenko, Xabi Uribe-Etxebarria
Abstract: The recent success of large language models (LLMs) has been largely driven by vast public datasets. However, the next frontier for LLM development lies beyond public data. Much of the world's most valuable information is private, especially in highly regulated sectors such as healthcare and finance, where data include patient histories or customer communications. Unlocking this data could represent a major leap forward, enabling LLMs with deeper domain expertise and stronger real-world utility. Yet, these data cannot be shared because they are distributed across institutions and constrained by privacy, regulatory, and organizational barriers. Moreover, institutional datasets are typically non-independent and identically distributed (non-IID), differing across sites in population characteristics, data modalities, documentation patterns, and task-specific label distributions. In this paper, we demonstrate a practical approach to unlocking private and distributed institutional data for LLM adaptation through federated collaboration across data silos. Built on the Sherpa.ai Federated Learning platform, our framework enables nodes to jointly fine-tune a shared LLM without exchanging private data. We evaluate this approach through a cross-domain benchmark in healthcare and finance, using four closed-ended question answering and classification datasets: MedQA, MedMCQA, FPB, and FiQA-SA. We compare three parameter-efficient fine-tuning (PEFT) strategies-LoRA, QLoRA, and IA3-across pretrained backbones under non-IID settings reflecting institutional data heterogeneity. Our results show that federated fine-tuning performs close to centralized training and outperforms isolated single-institution learning. From a Green AI perspective, QLoRA and IA3 improve efficiency with limited accuracy degradation, supporting federated PEFT as a viable approach for adapting LLMs where data cannot be shared.
Authors: Jiaqi Liu, Xinyu Ye, Peng Xia, Zeyu Zheng, Cihang Xie, Mingyu Ding, Huaxiu Yao
Abstract: Long-term memory is essential for LLM agents that operate across multiple sessions, yet existing memory systems treat retrieval infrastructure as fixed: stored content evolves while scoring functions, fusion strategies, and answer-generation policies remain frozen at deployment. We argue that truly adaptive memory requires co-evolution at two levels: the stored knowledge and the retrieval mechanism that queries it. We present EvolveMem, a self-evolving memory architecture that exposes its full retrieval configuration as a structured action space optimized by an LLM-powered diagnosis module. In each evolution round, the module reads per-question failure logs, identifies root causes, and proposes targeted configuration adjustments; a guarded meta-analyzer applies them with automatic revert-on-regression and explore-on-stagnation safeguards. This closed-loop self-evolution realizes an AutoResearch process: the system autonomously conducts iterative research cycles on its own architecture, replacing manual configuration tuning. Starting from a minimal baseline, the process converges autonomously, discovering effective retrieval strategies including entirely new configuration dimensions not present in the original action space. On LoCoMo, EvolveMem outperforms the strongest baseline by 25.7% relative and achieves a 78.0% relative improvement over the minimal baseline. On MemBench, EvolveMem exceeds the strongest baseline by 18.9% relative. Evolved configurations transfer across benchmarks with positive rather than catastrophic transfer, indicating that the self-evolution process captures universal retrieval principles rather than benchmark-specific heuristics. Code is available at https://github.com/aiming-lab/SimpleMem.
Authors: Daiyang Yu, Xinyu Chen, Yihan Zhang, Yan Liang, Yaqi Qiao, Fan Lai
Abstract: Machine learning (ML) is increasingly applied to optimize system performance in tasks such as resource management and network simulation. Unlike traditional ML tasks (e.g., image classification), networked systems often operate in heterogeneous, long-running, and dynamic environment states, where input conditions (e.g., network loads) and operational objectives can shift over time and across settings. Existing learning-based systems offer little support for adaptation, resulting in costly model training, extensive data collection, degraded system performance, and slow responsiveness. This paper presents EMA, the first model adaptation system supporting learning-based systems to adapt to evolving environments with minimal operational overhead. EMA takes a system-driven, data-centric approach that accommodates diverse system and model designs while addressing two key deployment challenges. First, it reduces expensive model training by introducing state transformers that align the input state of a new environment with previously similar states, allowing models to warm-start adaptation. Second, it addresses the often-overlooked yet costly process of data labeling--collecting ground truth for exploring and training on various system decisions--by prioritizing labeling high-utility data while balancing the tradeoff between training and labeling cost. Evaluations on eight representative learning-based systems show that EMA reduces adaptation costs (e.g., GPU training time) by 14.9-42.4% while improving system performance (e.g., network throughput) by 6.9-31.3%.
Authors: Raphael Vock, Edouard Duchesnay, Benoit Dufumier
Abstract: Contrastive learning (CL) aims to preserve relational structure between samples by learning representations that reflect a similarity graph. Yet, the geometry of the resulting embeddings remains poorly understood. Here we show that weighted InfoNCE objectives can be interpreted as Distance Geometry Problems, where the weighting scheme specifies the target geometry to be realized by the representation. This viewpoint yields exact characterizations of the optimal embeddings for several supervised and weakly supervised objectives. In supervised classification, both SupCon and Soft SupCon (a dense relaxation of it where pairs from distinct classes have small non-zero similarity) collapse samples within each class to a single prototype. However, while balanced SupCon recovers the classical regular simplex geometry, class imbalance breaks this symmetry: SupCon induces non-uniform inter-class similarities depending on class sizes, whereas Soft SupCon preserves a regular simplex geometry regardless of class imbalance. In continuous-label settings, our framework reveals a different failure mode: y-Aware CL generally cannot attain its entropic optimum unless the labels lie on a hypersphere, exposing a mismatch between Euclidean label weights and spherical latent similarity. By contrast, geometrically consistent choices such as Euclidean-Euclidean weighting or X-CLR admit unique optimal embeddings. Our results show that the choice of weighting scheme determines whether contrastive learning is geometrically realizable, degenerate, or inconsistent, providing a principled framework for designing contrastive objectives.
Authors: Darius A. Faroughy, Sofia Palacios Schweitzer, Ian Pang, Siddharth Mishra-Sharma, David Shih
Abstract: Autonomous language-model agents are increasingly evaluated on long-horizon tool-use tasks, but existing benchmarks rarely capture the complexity and nuance of real scientific work. To address this gap, we introduce Collider-Bench, a benchmark for evaluating whether LLM agents can reproduce experimental analyses from the Large Hadron Collider (LHC) using only public papers and open scientific software. Such analyses are often difficult to reproduce because the public toolchain only approximates the software used internally by the experimental collaborations, while the published papers inevitably omit implementation details needed for a faithful reconstruction. Agents must therefore rely on physical reasoning, domain knowledge, and trial-and-error to fill these gaps. Each task requires the agent to turn a published analysis into an executable simulation-and-selection pipeline and submit predicted collision event yields in specified signal regions. These predictions are evaluated with standard histogram metrics that provide continuous fidelity scores without a hand-written rubric. We also report the computational cost incurred by each agent per task. Finally, we evaluate the codebase and full session trace using an LLM judge to catch qualitative failure modes such as fabrications, hallucinations and duplications. We release an initial set of tasks drawn from LHC searches, together with a containerized sandbox and event simulation tools. We evaluate across a capability ladder of general purpose coding agents. Our results show that on average no agent reliably beats the physicist-in-the-loop solution.
Authors: Sinjae Kang, Chanyoung Kim, Kaixin Wang, Li Zhao, Kimin Lee
Abstract: Generative policies based on diffusion and flow matching have become a dominant paradigm for visuomotor robotic control. We show that replacing the standard Gaussian source distribution with WarmPrior, a simple temporally grounded prior constructed from readily available recent action history, consistently improves success rates on robotic manipulation tasks. We trace this gain to markedly straighter probability paths, echoing the effect of optimal-transport couplings in Rectified Flow. Beyond standard behavior cloning, WarmPrior also reshapes the exploration distribution in prior-space reinforcement learning, improving both sample efficiency and final performance. Collectively, these results identify the source distribution as an important and underexplored design axis in generative robot control.
Authors: Katherine Lambert, Sasha Luccioni
Abstract: The rise in deployment of large language models has driven a surge in GPU demand and datacenter scaling, raising concerns about electricity use, grid stress, and the impacts of modern AI workloads. Distillation is often promoted as one of the most effective paths to obtain cheaper, more efficient models, yet these claims rarely account for the full end-to-end energy and resource costs, including crucial teacher-side workloads such as data generation, logit caching, and evaluation. We present a comprehensive energy accounting framework that measures the complete computational cost of distillation pipelines via detailed stage-wise tracking of GPU device power consumption. In our experiments, we separate and log empirical energy use across distinct phases and systematically measure the energy and emissions of two common distillation methods: the classic logit-based knowledge distillation and synthetic-data supervised fine-tuning, constructing energy-quality Pareto frontiers that expose the previously ignored costs. From these measurements and analyses, we derive practical design rules for selecting distillation methods and hyperparameters under energy and budget constraints, and release an open-source measurement harness and accounting protocol to provide a standardized foundation for comparable, reproducible distillation research, explicitly accountable for complete pipeline energy impact.
Authors: L\'eo Grinsztajn (Liam), Klemens Fl\"oge (Liam), Oscar Key (Liam), Felix Birkel (Liam), Philipp Jund (Liam), Brendan Roof (Liam), Mihir Manium (Liam), Shi Bin (Liam), Hoo, Magnus B\"uhler, Anurag Garg, Dominik Safaric, Jake Robertson, Benjamin J\"ager, Simone Alessi, Adrian Hayler, Vladyslav Moroshan, Lennart Purucker, Philipp Singer, Alan Arazi, Julien Siems, Jan Hendrik Metzen, Georg Grab, Nick Erickson, Siyuan Guo, Eliott Kalfon, Simon Bing, David Salinas, Clara Cornu, Lilly Charlotte Wehrhahn, Diana Kriuchkova, Kursat Kaya, Lydia Sidhoum, Marie Salmon, Jerry Chen, Madelon Hulsebos, Yann LeCun, Samuel M\"uller, Bernhard Sch\"olkopf, Sauraj Gambhir, Noah Hollmann, Frank Hutter
Abstract: Tabular data underpins most high-value prediction problems in science and industry, and TabPFN has driven the foundation model revolution for this modality. Designed with feedback from our users, TabPFN-3 builds on this foundation to scale state-of-the-art performance to datasets with 1M training rows and substantially reduce training and inference time. Pretrained exclusively on synthetic data from our prior, TabPFN-3 dramatically pushes the frontier of tabular prediction and brings substantial gains on time series, relational, and tabular-text data. On the standard tabular benchmark TabArena, a forward pass of TabPFN-3 outperforms all other models, including tuned and ensembled baselines, by a significant margin, and pareto-dominates the speed/performance frontier. On more diverse datasets, TabPFN-3 ranks first on datasets with many classes, and beats 8-hour-tuned gradient-boosted-tree baselines on datasets up to 1M training rows and 200 features. TabPFN-3 introduces test-time compute scaling to tabular foundation models. Our API offering TabPFN-3-Plus (Thinking) exploits this to beat all non-TabPFN models by over 200 Elo on TabArena, rising to 420 Elo on the largest data subset, and outperforms AutoGluon 1.5 extreme while being 10x faster, without using LLMs, real data, internet search or any other model besides TabPFN. TabPFN-3 extends the capabilities of our models, enabling SOTA prediction on relational data (new SOTA foundation model on RelBenchV1) and tabular-text data (SOTA on TabSTAR via TabPFN-3-Plus); and improves existing integrations: a specialized checkpoint, TabPFN-TS-3, ranks 2nd on the time-series benchmark fev-bench, and SHAP-value computation is up to 120x faster. TabPFN-3 achieves this performance while being up to 20x faster than TabPFN-2.5. In addition, a reduced KV cache and row-chunking scale to 1M rows on one H100 with fast inference speed.
Authors: Zhixuan Zhao, Tao Zhong, Yixun Hu, Nathalie P. de Leon, Christine Allen-Blanchette
Abstract: Inverse problems in scientific sensing are often solved with either hand-designed regularizers or supervised networks trained on simulated labels, yet both can fail when the forward model is nonlinear, spectrally coupled, and physically delicate. We study this issue for noise sensing based on nitrogen-vacancy (NV) centers in diamond, where a quantum sensor measures magnetic-noise spectra generated by sparse spin sources. We show that replacing a common scalar/coherent forward approximation with a tensor power-summed dipolar operator changes the inverse landscape and exposes a center-collapse failure mode in free-density optimization. We propose NeTMY, an amortization-free coordinate neural field coupled to the differentiable NV forward model, with annealed positional encoding, multiscale optimization, sparsity/gating, and spectrum-fidelity losses. Across sparse synthetic reconstructions generated by the corrected operator, NeTMY achieves the best localization and distributional metrics in the tested benchmark. Mechanism experiments show that NeTMY does not directly execute the raw density-space gradient; its parameterization smooths and redistributes updates, mitigating the center-collapse pathology. These results position NV quantum sensing as a useful testbed for physics-faithful neural inverse problems.
Authors: Tao Zhong, Dongzhe Zheng, Christine Allen-Blanchette
Abstract: Sparse Mixture-of-Experts (MoE) layers route tokens through a handful of experts, and learning-free compression of these layers reduces inference cost without retraining. A subtle obstruction blocks every existing compressor in this family: three experts can each be pairwise compatible yet form an irreducible cycle when merged together, so any score that ranks experts on pairwise signals is structurally blind to which triples are jointly mergeable. We show the obstruction is a precise mathematical object, the harmonic kernel of the simplicial Laplacian on a 2-complex whose vertices are experts, whose edges carry KL merge barriers, and whose faces carry triplet barriers; Hodge-decomposing the edge-barrier signal isolates the kernel exactly. We turn the diagnostic into a selection objective: HodgeCover greedily covers the harmonic-critical edges and triplet-critical triangles, and a hybrid variant of HodgeCover pairs it with off-the-shelf weight pruning on survivors. On three open-weight Sparse MoE backbones under aggressive expert reduction, HodgeCover matches state-of-the-art learning-free baselines on the expert-reduction axis, leads on the aggressive-compression frontier of the hybrid axis, and uniquely balances retained mass across all four Hodge components. These results show that exposing the harmonic kernel of a learned MoE structure changes which compressor wins at the regime that matters most.
Authors: Adrian M\"uller, Antoine Gonon, Zebang Shen, Ya-Ping Hsieh, Niao He
Abstract: Discrete diffusion models are increasingly competitive for language modeling, yet it remains unclear how their denoising objectives organize learning. Although these objectives target the full data distribution, we show that the exact reverse process induces a hierarchy between coarse support information and finer frequency information. For uniform and absorbing (a.k.a. masking) diffusion, we prove that, in the small-noise regime of the final denoising steps, each single-token reverse edit decomposes into a leading scale, determined by whether it moves toward the data support (e.g., grammatically valid sentences), and a finer coefficient, determining relative probabilities within the same scale. Thus, recovering validity structure only requires learning the correct order of magnitude of reverse probabilities, whereas recovering data frequencies requires coefficient-level estimation. The separation is mechanism-dependent: uniform diffusion exhibits a trichotomy into validity-improving, validity-preserving, and validity-worsening edits, while absorbing diffusion places its leading-order mass on validity-improving moves. Experiments on a masked language diffusion model and synthetic regular-language tasks support these predictions: support-localization emerges earlier than within-support frequency ranking, and the contrast between uniform and absorbing diffusion matches the predicted rate separation. Together, our results suggest that discrete diffusion models learn data support before data frequencies.
Authors: Tomoyoshi Kimura, Denizhan Kara, Jinyang Li, Hongjue Zhao, Yigong Hu, Yizhuo Chen, Xiaomin Ouyang, Shengzhong Liu, Tarek Abdelzaher
Abstract: Internet of Things (IoT) systems continuously collect heterogeneous sensing signals from ubiquitous sensors to support intelligent applications such as human activity analysis, emotion monitoring, and environmental perception. These signals are inherently non-stationary and multi-scale, posing unique challenges for standard tokenization techniques. This paper proposes Dywave, a dynamic tokenization framework for IoT sensing signals that constructs compact input representations aligned with intrinsic temporal structures and underlying physical events. Dywave leverages wavelet-based hierarchical decomposition, identifies meaningful temporal boundaries corresponding to underlying semantic events, and adaptively compresses redundant intervals while preserving temporal coherence. Extensive evaluations on five real-world IoT sensing datasets across activity recognition, stress assessment, and nearby object detection demonstrate that Dywave outperforms state-of-the-art methods by up to 12% in accuracy, while improving computational efficiency by reducing input token lengths by up to 75% across mainstream sequence models. Moreover, Dywave exhibits improved robustness to domain shifts and varying sequence lengths.
Authors: Sanghyeob Song, Donghyeok Lee, Jinsik Kim, Sungroh Yoon
Abstract: For reinforcement learning in data-scarce domains like real-world robotics, intensive data reuse enhances efficiency but induces overfitting. While prior works focus on critic bias, representation-level instability in Self-Predictive Learning (SPL) under high Update-to-Data (UTD) regimes remains underexplored. To bridge this gap, we propose Robust Representation via Redundancy Reduction (R2R2), a regularization method within SPL. We theoretically identify that standard zero-centering conflicts with SPL's spectral properties and design a non-centered objective accordingly. We verify R2R2 on SPL-native algorithms like TD7. Furthermore, to demonstrate its orthogonality to prior advancements, we extend the state-of-the-art SimbaV2, which originally lacks SPL, by integrating a tailored SPL module, termed SimbaV2-SPL. Experiments across 11 continuous control tasks confirm that R2R2 effectively mitigates overfitting; specifically, at a UTD ratio of 20, it improves TD7 by ~22% and provides additional gains on top of SimbaV2-SPL, which itself establishes a new state-of-the-art. The code can be found at: https://github.com/songsang7/R2R2
Authors: Gergely Szilvasy (Meta FAIR), Manuel Faysse (Meta FAIR, MICS, CentraleSup\'elec), Maria Lomeli (Meta FAIR), Matthijs Douze (Meta FAIR), Pierre-Emmanuel Mazar\'e (Meta FAIR), Lo\"ic Cabannes (Meta FAIR), Wen-tau Yih (Meta FAIR), Herv\'e J\'egou (Meta FAIR)
Abstract: Under modern test-time compute and agentic paradigms, language models process ever-longer sequences. Efficient text generation with transformer architectures is increasingly constrained by the Key-Value cache memory footprint and bandwidth. To address this limitation, we introduce Self-Pruned Key-Value Attention (SP-KV), a mechanism designed to predict future KV utility in order to reduce the size of the long-term KV cache. This strategy operates at a fine granularity: a lightweight utility predictor scores each key-value pair, and while recent KVs are always available via a local window, older pairs are written in the cache and used in global attention only if their predicted utility surpasses a given threshold. The LLM and the utility predictor are trained jointly end-to-end exclusively through next-token prediction loss, and are adapted from pretrained LLM checkpoints. Rather than enforcing a fixed compression ratio, SP-KV performs dynamic sparsification: the mechanism adapts to the input and typically reduces the KV cache size by a factor of $3$ to $10\times$, longer sequences often being more compressible. This leads to vast improvements in memory usage and decoding speed, with little to no degradation of validation loss nor performance on a broad set of downstream tasks. Beyond serving as an effective KV-cache reduction mechanism, our method reveals structured layer- and head-specific sparsity patterns that we can use to guide the design of hybrid local-global attention architectures.
Authors: Vikash Singh, Debargha Ganguly, Weicong Chen, Sabyasachi Sahoo, Sreehari Sankar, Biyao Zhang, Mohsen Harir, Shouren Wang, Osama Zafar, Christian Gagn\'e, Vipin Chaudhary
Abstract: Continual test-time adaptation (CTTA) updates a pretrained model online on an unlabeled, non-stationary stream while anchoring it to a frozen source checkpoint. This anchor is useful only when the source remains reliable. On CCC-Hard, however, a ResNet-50 source falls to approximately $1.3\%$ top-$1$ accuracy, while existing source-anchored CTTA methods continue applying the same anchor strength. We call this failure mode blind anchoring and propose RMemSafe, a reliability-gated extension of ROID that uses the frozen source's normalized predictive entropy to attenuate all explicit source-coupled uses in the objective. When the source posterior approaches uniformity, the gate closes: the source anchor and agreement filter vanish, and the objective reduces to a source-agnostic fallback comprising ROID's base losses plus marginal calibration. Combined with ASR, RMemSafe achieves the lowest error on $8$ of $9$ matched-split continual-corruption cells and is the best reset-based method on all $9$, improving ROID+ASR by $1.05$~pp on ResNet-50 and $0.48$~pp on ViT-B/16. A controlled source-degradation sweep shows a $1.13{\times}$ shallower harm slope than ROID+ASR, consistent with the graceful-decay prediction. The entropy gate detects high-entropy source collapse, not confidently wrong low-entropy sources; this scope is explicitly evaluated and discussed.
Authors: Karan Sehgal, Khawar Naveed Bhatti
Abstract: Financial distress prediction remains a significant challenge in enterprise risk analysis due to the highly imbalanced nature of real-world financial datasets, where bankrupt or distressed firms typically constitute only a small minority of observations. This paper presents a comparative evaluation of classical statistical methods, ensemble learning approaches, and exploratory neural models for minority-class financial distress prediction under class imbalance constraints. The study incorporates structured preprocessing, imbalance mitigation using the Synthetic Minority Oversampling Technique (SMOTE), comparative evaluation across ensemble learning architectures including XGBoost, CatBoost, LightGBM, Random Forest, and explainability analysis using SHAP-based feature attribution methods. Experimental evaluation demonstrates that gradient-boosting approaches achieved improved minority-class sensitivity relative to baseline statistical classifiers under severe imbalance conditions. The workflow additionally emphasises reproducibility, interpretability, auditability, and governance-oriented machine learning evaluation within enterprise financial risk environments. The work is positioned as an applied engineering evaluation intended to support reproducible and interpretable machine learning workflows for financial distress prediction under severe class imbalance constraints.
Authors: Mohammad R. Rezaei, Tejas Balaji, Rahul G. Krishnan
Abstract: Irregularly sampled multivariate event streams remain a stubbornly difficult modality for generative modeling: tokenization-based approaches break down when inter-event intervals vary by orders of magnitude, and neural temporal point processes are bottlenecked by window-level numerical quadrature. We (i) propose SurF, a generative model that uses the Time Rescaling Theorem (TRT) as a learnable bijection between event sequences and i.i.d.\ unit-rate exponential noise, enabling a single model to be trained across heterogeneous event-stream datasets; (ii) three efficient parameterizations of the cumulative intensity that scale to long sequences; and (iii) a Transformer-based encoder for multi-dataset pretraining. On six real-world benchmarks, SurF achieves the best reported time RMSE on Earthquake, Retweet, and Taobao, and is within trial-level noise of the strongest specialist on the remaining three. Under a strict leave-one-out protocol, the held-out checkpoint beats every classical and neural-autoregressive baseline on 5/6 datasets and beats every baseline on Amazon and Earthquake, an initial step toward foundation models over asynchronous event streams.
Authors: Rayhaneh Shabani Nia, Ali Karkehabadi
Abstract: Deep neural networks have achieved strong performance in genomic sequence classification; however, relating their predictions to biologically meaningful sequence patterns remains challenging. In this work, we present AttnGen, an attention-guided training framework that embeds interpretability directly into the optimization process. AttnGen computes nucleotide-level importance scores using an attention mechanism and progressively suppresses low-contribution positions during training. This encourages the model to focus its predictions on a compact set of informative regions while reducing reliance on noisy sequence elements. We evaluate AttnGen on the standardized demo_human_or_worm benchmark, a binary classification task over 200-nucleotide sequences. With moderate masking, AttnGen achieves a validation accuracy of 96.73%, outperforming a conventional CNN baseline with 95.83% accuracy, while also exhibiting faster convergence and improved training stability. To assess whether the learned importance scores reflect functionally relevant signal, we conduct perturbation-based analysis by removing high-saliency nucleotides. This causes accuracy to drop from 96.9% to near chance level on a 3,000-sequence evaluation set, indicating that the model relies on a relatively small subset of informative positions. Our analysis shows that masking 10--20% of positions provides the most favorable trade-off between predictive performance and interpretability. These results suggest that attention-guided masking not only improves classification performance but also reshapes how models distribute importance across sequence positions. Although this study focuses on short genomic sequences, the proposed approach may extend to more complex interpretable sequence modeling settings.
Authors: Mokshit Surana
Abstract: Fairness in toxicity classification involves three integrated axes: ranking, calibration, and abstention. Training-time interventions and post-hoc safety mechanisms cannot be evaluated independently because the former determines the efficacy of the latter. We compare Empirical Risk Minimization (ERM), instance-level reweighting, and Group DRO across these axes, combined with temperature scaling, confidence-based abstention, and per-identity threshold optimization. Evaluation uses subgroup AUC, BPSN/BNSP AUC, error gaps, and per-subgroup Expected Calibration Error (ECE) with bootstrap CIs ($n = 1000$). We report four findings. (1) Calibration disparity is a hidden fairness violation. ERM has near-perfect aggregate calibration ($0.013$) but is significantly miscalibrated across all identity subgroups ($+0.029$ to $+0.134$). (2) Training interventions reshape rather than eliminate disparity. Reweighted ERM improves ranking (BPSN AUC $+0.06$ to $+0.12$) but worsens the calibration-fairness gap by up to $+0.232$. Group DRO eliminates calibration disparity but only by becoming uniformly miscalibrated globally (ECE $0.118$). (3) Post-hoc methods inherit training failure modes. Temperature scaling fails because miscalibration is non-uniform. Confidence-based abstention works under ERM but breaks under DRO, where the risk-coverage curve rises with deferral. (4) Abstention itself is unfair. Confidence-based deferral helps background content far more than identity-mentioning content. We argue that SRAI fairness requires a multi-axis framework: methods that differ only in aggregate ranking can differ sharply in failure modes that determine real-world harm.
Authors: Cristian Hinostroza, Rodrigo Toro Icarte, Christ Devia, Andres Carvallo De Ferari, Eugenio Herrera-Berg, Denis Parra, Jorge F Silva
Abstract: Large language models (LLMs) have revolutionized natural language processing. Understanding their internal mechanisms is crucial for developing more interpretable and optimized architectures. Mechanistic interpretability has led to the development of various methods for assessing layer relevance, with cosine similarity being a widely used tool in the field. On this work, we demonstrate that cosine similarity is a poor proxy for the actual performance degradation caused by layer removal. Our theoretical analysis shows that a layer can exhibit an arbitrarily low cosine similarity score while still being crucial to the model's performance. On the other hand, empirical evidence from a range of LLMs confirms that the correlation between cosine similarity and actual performance degradation is often weak or moderate, leading to misleading interpretations of a transformer's internal mechanisms. We propose a more robust metric for assessing layer relevance: the actual drop in model accuracy resulting from the removal of a layer. Even though it is a computationally costly metric, this approach offers a more accurate picture of layer importance, allowing for more informed pruning strategies and lightweight models. Our findings have significant implications for the development of interpretable LLMs and highlight the need to move beyond cosine similarity in assessing layer relevance.
Authors: Mashrekur Rahman
Abstract: Geospatial foundation models compress multispectral observations into dense embeddings increasingly used in natural-language environmental reasoning systems. A single planetary-scale model, e.g. Google AlphaEarth, handles broad characterization well but may compromise on specialized hydrologic signals. Such generalist models are also often inaccessible, expensive, and require large-scale compute. We propose Mini-JEPAs: a fleet of small sensor-specialized Joint Embedding Predictive Architecture (JEPA) foundation models consulted by a routing agent for specialized questions. We pretrained five 22M-parameter Mini-JEPAs sharing an identical Vision Transformer backbone, JEPA recipe, and 64-d output space, using Sentinel-2 optical, Sentinel-1 SAR, MODIS thermal, multi-temporal Sentinel-2 phenology, and a topography-soil stack. Each Mini-JEPA reconstructs the variable matched to its sensor, with cross-validated $R^2$ reaching 0.97 for elevation, 0.97 for temperature, and 0.81 for precipitation. The five manifolds differ in geometric structure, with global participation ratios from 8.9 to 20.2 and local intrinsic dimensionalities from 2.3 to 9.0. Joint topography-soil and phenology models add predictive value beyond AlphaEarth alone for soil moisture, aridity, and precipitation ($\Delta R^2$ up to 0.031). A router LLM reads per-modality references and selects appropriate sensors with a perfect hit rate over a curated question set. In paired LLM-as-Judge evaluation, dual retrieval over AlphaEarth and the routed fleet outperforms AlphaEarth alone on physics-matched questions (Cohen's $d = 1.10$, $p = 0.031$). Locally-trained Mini-JEPAs can be operationalized for hydrologic intelligence with modest compute.
Authors: Marius S. Knorr, Robert M\"uller, Jan P. Bremer, Nils Schweingruber
Abstract: Fast Healthcare Interoperability Resources (FHIR) is the dominant standard for interoperable exchange of healthcare data. In FHIR, electronic health records form a directed graph of resources. Answering clinically meaningful questions over FHIR requires agents to perform multi-step reasoning, filtering, and aggregation across multiple resource types. Prior work shows that even tool-augmented LLM agents (retrieval, code execution, multi-turn planning) often select the wrong resources or violate traversal constraints. We study this problem in the context of FHIR-AgentBench, a benchmark for realistic question answering over real-world hospital data, and frame reasoning on FHIR as a sequential decision-making problem over a queryable structured graph. We implement a multi-turn CodeAct agent and post-train it with reinforcement learning using a custom harness and tools. A LLM Judge provides execution-grounded rewards. Compared to prompt-based, closed-model baselines, RL post-training improves performance while enforcing data-integrity constraints. Empirically, our approach improves answer correctness from 50% (o4-mini) to 77% on FHIR-AgentBench using a smaller and cheaper Qwen3-8B model. We present an end-to-end post-training pipeline (environment building, harness construction, model training and custom evaluation) that reliably improves multi-turn reasoning over structured clinical graphs.
Authors: Vyron Arvanitis, Angelos Aslanidis, Emanuel Sommer, David R\"ugamer
Abstract: bde is a user-friendly Python package for Bayesian Deep Ensembles with a particular focus on tabular data. Built on an efficient JAX implementation of the sampling-based inference method Microcanonical Langevin Ensembles (MILE), it provides scikit-learn compatible estimators for fast training, efficient Markov Chain Monte Carlo sampling, and uncertainty quantification in both regression and classification tasks.
Authors: Jiandong Chen, Lingjie Su, Le Peng, Yash Travadi, Rui Zhang, Ju Sun
Abstract: Objective: The primary goal of this study was to systematically examine the impact of commonly used imbalance handling methods (IHMs) on predictive performance in biomedical binary classification, considering the interplay between model complexity and diverse data modalities. Material and Methods: We evaluated five representative IHMs: random undersampling (RUS), random oversampling (ROS), SMOTE, re-weighting (RW), and direct F1-score optimization (DMO), against a raw training (RAW) baseline. The evaluation encompassed three public biomedical datasets: MIMIC-III (tabular), ADE-Corpus-V2 (text), and MURA (image), spanning three common biomedical data modalities. To assess varying model complexity, we employed a range of architectures, from classical logistic regression and random forest to deep neural networks, including multilayer perceptron (MLP), BiLSTM, BERT, DenseNet, and DINOv2. Results: For simpler models such as logistic regression on tabular data, IHMs yielded no significant advantage over the RAW baseline, aligning with prior findings. However, clear benefits were observed for more complex models and unstructured data: (a) ROS and RW consistently enhanced the performance of powerful models; (b) direct F1-score optimization demonstrated utility primarily for unstructured text and image data; and (c) RUS and SMOTE consistently degraded performance and are therefore not recommended. Conclusion: The effectiveness of IHMs depends on both model complexity and data modality. Performance gains are most pronounced when leveraging appropriate IHMs, such as ROS, RW, and DMO, on high-complexity models.
Authors: Scott Ye, Harlin Lee
Abstract: While generative models have shown promise in pediatric sleep analysis, the latent structure of their multimodal embeddings remains poorly understood. This work investigates session-wide diagnostic information contained in the sequences of 30-second pediatric PSG epochs embedded by a multimodal masked autoencoder. We test whether augmenting embeddings with PHATE-derived per-epoch coordinates and whole-night movement descriptors, persistent homology summaries of the embedding cloud, and EHR yields task-relevant signals. Simple linear and MLP models, chosen for interpretability rather than state-of-the-art performance, show that geometric, topological, and clinical features each provide complementary gains. For binary predictions, feature importance is task-dependent, and more expressive late-fusion models generally perform better, with AUPRC improving from 0.26 to 0.34 for desaturation, 0.31 to 0.48 for EEG arousal, 0.09 to 0.22 for hypopnea, and 0.05 to 0.14 for apnea. We also report Brier score and Expected Calibration Error, where the full fusion model yields the best calibration across all four binary tasks. Our study reveals that latent geometry/topology and EHR offer complementary, interpretable signals beyond embeddings, improving calibration and robustness under extreme imbalance.
Authors: Devin Smedira, Abhijith Jayakumar, Sidhant Misra, Marc Vuffray, Andrey Y. Lokhov
Abstract: Learning of continuous exponential family distributions with unbounded support remains an important area of research for both theory and applications in high-dimensional statistics. In recent years, score matching has become a widely used method for learning exponential families with continuous variables due to its computational ease when compared against maximum likelihood estimation. However, theoretical understanding of the statistical properties of score matching is still lacking. In this work, we provide a non-asymptotic sample complexity analysis for learning the structure of exponential families of polynomials with score matching. The derived sample bounds show a polynomial dependence on the model dimension. These bounds are the first of its kind, as all prior work has shown only asymptotic bounds on the sample complexity.
Authors: Xuanhao Luo, Zhizhen Li, Yuchen Liu
Abstract: Channel state information (CSI) provides a widely available sensing modality for human and environment perception, but existing CSI sensing models usually rely on task-specific supervised training and require substantial labeled data for each task, device, user, or environment. This limits their scalability in practical deployments where unlabeled CSI is abundant but labeled data is costly to collect. In this paper, we present CSI-JEPA, a self-supervised predictive representation learning framework for label-efficient, multi-task Wi-Fi sensing. CSI-JEPA learns reusable temporal-spectral representations from unlabeled CSI samples by predicting latent features of masked channel regions from visible context. To better match the physical structure of CSI, CSI-JEPA tokenizes channel-response amplitude windows along the time and subcarrier dimensions. It then introduces a channel variation-aware masking strategy that samples predictive targets from regions with stronger local temporal and subcarrier-domain variations. After pretraining, the encoder is frozen and used as a backbone, with lightweight task-specific adapters added for downstream sensing tasks. We evaluate CSI-JEPA on seven real-world Wi-Fi sensing tasks spanning diverse objectives and deployment settings. The results show that CSI-JEPA improves downstream sensing performance over competitive baselines, achieving up to 10.64 percentage points mean accuracy gain over state-of-the-art supervised Transformer and matched-budget label savings of up to 98.0%.
Authors: Qi Cao, Yufan Wang, Peijia Qin, Shuhao Zhang, Pengtao Xie
Abstract: Large language models (LLMs) often expose useful signals of self-monitoring: before solving a problem, they can estimate whether they are likely to succeed, and after solving it, they can judge whether their answer is likely to be correct. However, these signals are typically measured or elicited in isolation, rather than used to control inference. In this work, we ask whether LLMs possess latent metacognitive ability that can be turned into effective test-time control. Inspired by the Nelson--Narens theory from cognitive psychology, we propose a metacognitive harness that separates monitoring from reasoning. For each problem, the model first reports a pre-solve feeling-of-knowing (FOK) signal; after each solve attempt, it reports a post-solve judgment-of-learning (JOL) signal. Rather than treating these signals as passive confidence estimates, the harness turns them into an explicit control interface for reasoning: it decides when to trust the current solution, when to retry with compact metacognitive feedback, and when to pass multiple attempts to a final aggregator. Across text, code, and multimodal reasoning benchmarks, our harness substantially improves a fixed Claude Sonnet-4.6 base model without parameter updates or benchmark-specific fine-tuning. On the evaluated public benchmark snapshots, it raises pooled accuracy from 48.3 to 56.9 and exceeds the strongest listed leaderboard entries on the three primary evaluation settings: HLE-Verified, LiveCodeBench v6, and R-Bench-V. These results suggest that strong LLMs may already possess useful metacognitive ability, but require an explicit control harness to act on it during reasoning.
Authors: Leena Chennuru Vankadara, Moritz Haas, Luke Hayward, Sebastian Bordt, Alessandro Breccia
Abstract: Recent frontier large language models predominantly rely on Mixture-of-Experts (MoE) architectures. Despite empirical progress, there is still no principled understanding of how hyperparameters should scale with network width $N$, expert width $N_e$, number of experts $M$, sparsity $K$, and depth $L$ to ensure both stability and optimal performance at scale. We take a principled step toward resolving this gap by analyzing three different scaling regimes: (I) co-scaling $N\asymp N_e$, (II) co-scaling $N\asymp M\asymp K$, and (III) full proportional scaling of $N, N_e, M$, and $K$. For each regime, we develop a novel Dynamical Mean Field Theory (DMFT) description of the limiting training dynamics of MoEs that provides a formal foundation for our analysis. Within this framework, we derive the unique parameterization for SGD and Adam satisfying all maximal-update ($\mu$) desiderata. We then show that the resulting $\mu$P prescription does not reliably induce monotonic improvement with scale or robust learning-rate transfer. We trace these pathologies to scale-dependent observables in the aggregation dynamics, which motivates a refined set of desiderata that we term maximal scale stability. Guided by this principle, we derive a Maximally Scale-Stable Parameterization (MSSP) for both SGD and Adam in all three scaling regimes, and characterize the corresponding limiting dynamics - qualitatively distinct from the $\mu$P limit - through a separate DMFT analysis. Experiments verify that MSSP robustly recovers learning rate transfer and monotonic improvement with scale across regimes. Combined with existing depth-scaling theory, these results provide a complete scaling prescription for MoE architectures as a function of width, depth, expert width, and number of experts.
Authors: Yingying Fang, Haijie Xu, Shuang Wu, Mariathasan Anish, Guang Yang
Abstract: Concept Bottleneck Models (CBMs) offer interpretable alternatives to black-box predictors by introducing human-relatable concepts before the final output. However, existing CBMs struggle to verify whether predicted concepts correspond to the correct visual evidence, limiting their reliability. We propose a fine-grained CBM framework that grounds each concept in localized visual evidence, enabling direct inspection of where and how concepts are encoded. This design allows users to interpret predictions and verify that the model learns intended concepts rather than spurious correlations. Experiments on medical imaging benchmarks show that our learned concept space is information-complete and achieves predictive performance comparable to standard CBMs, while substantially improving transparency. Unlike post-hoc attribution methods, our framework validates both the presence and correctness of concept representations, bridging interpretability with verifiability. Our approach enhances the trustworthiness of CBMs and establishes a principled mechanism for human-model interaction at the concept level, paving the way toward more reliable and clinically actionable concept-based learning systems.
Authors: Andrew Lanpouthakoun, Aryaman Arora, Zhengxuan Wu, Dhruv Pai, Ben Keigwin, Dan Jurafsky, Christopher Potts
Abstract: Large language models can now be personalised efficiently at scale using parameter efficient finetuning methods (PEFTs), but serving user-specific PEFTs harms throughput, even with specialised kernels and memory management techniques. This is because, theoretically and empirically, a mismatch exists between prefill (processing a large number of tokens at once) and decode (generating a single token autoregressively): the latter has far lower throughput when serving multiple adapters. Rather than optimising performance relative to parameter count, for efficient multi-adapter serving, we instead ought to optimise performance relative to serving throughput. We therefore propose PreFT (Prefill-only Finetuning), wherein we only apply the adapter to prefill tokens and discard it afterwards. PreFT significantly increases throughput with minimal effect on performance. We develop and release an efficient implementation of two prefill-only PEFTs, LoRA and ReFT, on the vLLM inference engine. We first show that serving multi-user PreFTs is more efficient than traditional PEFTs ($1.9\times$ the throughput when serving $512$ adapters on Llama 3.1 70B). Then, we compare the performance of prefill-only vs. all-token adapters on a variety of supervised finetuning and reinforcement learning tasks with LMs at varying scales. On SFT, we observe that the evaluation loss of PreFTs is higher than PEFTs, but can be compensated by increasing rank with nearly no reduction in throughput. On RL, we consistently find that PreFTs approach parity with standard PEFTs. Together, this work validates prefill-only adaptation of LLMs as a more favourable accuracy-throughput tradeoff than existing PEFTs for personalised serving.
Authors: Tianle Zhong, Neiwen Ling, Yifan Pi, Zijun Wei, Tianshu Yu, Geoffrey Fox, Peng Wu, Xiao Yu
Abstract: Modern LLM RL systems separate rollout generation from policy optimization. These two stages are expected to produce token probabilities that match exactly. However, implementation differences can make them assign different values to the same sequence under the same model weights, inducing Training-Inference Mismatch (TIM). TIM is difficult to inspect because it is entangled with off-policy drift and common stabilization mechanisms. In this work, we isolate TIM in a zero-mismatch diagnostic setting (VeXact), and show that small token-level numerical disagreements can independently cause training collapse. We further show that TIM changes the effective optimization problem, and identify a set of remedies that could mitigate TIM. Our results suggest that TIM is not benign numerical noise, but a systems-level perturbation that should be treated as a first-order factor in analyzing LLM RL stability.
Authors: Yunying Zhu, Andrew R Weckstein, Kueiyu Joshua Lin, Jie Yang
Abstract: Accurate disease trajectory prediction is critical for early intervention, resource allocation, and improving long-term outcomes. While electronic health records (EHRs) provide a rich longitudinal view of patient health in clinical environments, models trained on curated research cohorts may not reflect routine deployment settings, and those trained on single-hospital datasets capture only fragments of each patient's trajectory. This highlights the importance of leveraging large, multi-hospital health systems for training and validation to better reflect real-world clinical complexity. In this work, we develop DT-Transformer, a foundation model trained on 57.1M structured EHR entries over 1.7M patients from Mass General Brigham (MGB), spanning 11 hospitals and a broad network of outpatient clinics. DT-Transformer achieves strong discrimination in both held-out and prospective validation settings. Next-event prediction achieves a median age- and sex-stratified AUC of 0.871 across 896 disease categories, with all categories exceeding AUC 0.5. These results support health system-scale training as a path toward foundation models suited to real-world clinical forecasting.
Authors: Hanxun Huang, Qizhou Wang, Xingjun Ma, Cihang Xie, Christopher Leckie, Sarah Erfani
Abstract: Audio self-supervised learning (SSL) aims to learn general-purpose representations from large-scale unlabeled audio data. While recent advances have been driven mainly by generative reconstruction objectives, contrastive approaches remain less explored, partly due to the difficulty of designing effective audio augmentations and the large batch sizes required for contrastive pre-training. We introduce \textbf{AudioMosaic}, a contrastive learning-based audio encoder for general audio understanding. During pre-training, AudioMosaic constructs positive pairs by applying structured time-frequency masking to spectrogram patches, which reduces memory usage and enables efficient large-batch training. Compared with generative approaches, the AudioMosaic encoder learns more discriminative utterance-level representations that demonstrate strong transferability across datasets, domains, and acoustic conditions. Extensive experiments show that AudioMosaic achieves state-of-the-art performance on several standard audio benchmarks under both linear probing and fine-tuning. We further show that integrating the pretrained AudioMosaic encoder into audio-language models improves performance on audio-language tasks. The code is publicly available in our \href{https://github.com/HanxunH/AudioMosaic}{GitHub repository}.
Authors: Simranjeet Singh Dahia, Claudia Szabo
Abstract: We present an empirical evaluation of quantum entanglement in agent coordination within quantum multi agent reinforcement learning (QMARL). While QMARL has attracted growing interest recently, most prior work evaluates quantum policies without provable baselines, making it impossible to rigorously distinguish quantum advantage from algorithmic coincidence. We address this directly by evaluating a decentralized QMARL framework with variational quantum circuit (VQC) actors with shared entangled states. In the CHSH game, which has a mathematically proven classical performance ceiling of 0.75 win rate, we show that entangled QMARL agents approach the Tsirelson limit of 0.854, providing clear evidence of their quantum advantage. We show that unentangled quantum circuits match the classical baseline, confirming that entanglement and not the quantum circuit itself is the active coordination mechanism. We also explore the effect of specific entanglement structures, as some Bell states enable coordination gains while others actively harm performance. On cooperative navigation (CoopNav), QMARL without entanglement achieves $\sim2\times$ improvement in success rate over classical MAA2C ($\sim$0.85 versus $\sim$0.40), with the hybrid configuration, quantum actor paired with a classical centralised critic, outperforming both fully classical and fully quantum solutions. We present our experimental analysis and discuss future work.
Authors: Jerem\'ias Figueiredo Paschmann, Juan Kaplan, Francisco Nattero Santiago Mauricio Barron Bucolo, Juan Wisznia, Luciano del Corro
Abstract: Pairwise Ranking Prompting (PRP) elicits pairwise preference judgments from an LLM, which are then aggregated into a ranking, usually via classical sorting algorithms. However, judgments are noisy, order-sensitive, and sometimes intransitive, so sorting assumptions do not match the setting. Because sorting aims to recover a full permutation, truncating it to meet a call budget does not produce a dependable top-K. We thus reframe PRP reranking as active learning from noisy pairwise comparisons and show that active rankers are drop-in replacements that improve NDCG@10 per call in the call-constrained regime. Our noise-robust framework also introduces a randomized-direction oracle that uses a single LLM call per pair. This approach converts systematic position bias into zero-mean noise, enabling unbiased aggregate ranking without the cost of bidirectional calls.
Authors: Andrii Shportko, Inessa Verbitsky
Abstract: The recent large-scale emergence of LLMs has left an open space for dealing with their consequences, such as plagiarism or the spread of false information on the Internet. Coupling this with the rise of AI detector bypassing tools, reliable machine-generated text detection is in increasingly high demand. We investigate the paraphrasing attack resilience of various machine-generated text detection methods, evaluating three approaches: fine-tuned RoBERTa, Binoculars, and text feature analysis, along with their ensembles using Random Forest classifiers. We discovered that Binoculars-inclusive ensembles yield the strongest results, but they also suffer the most significant losses during attacks. In this paper, we present the dichotomy of performance versus resilience in the world of AI text detection, which complicates the current perception of reliability among state-of-the-art techniques.
Authors: Kexin Chu, Dawei Xiang, Wei Zhang
Abstract: Tool-augmented LLM agents increasingly access the same tool type through multiple functionally equivalent providers, such as web-search APIs, retrievers, or LLM backends exposed behind a shared interface. This creates a provider-routing problem under runtime load: the router must choose among providers that differ in latency, reliability, and answer quality, often without gold labels at deployment time. We introduce LQM-ContextRoute, a contextual bandit router for same-function tool providers. Its key design is latency-quality matching: instead of letting low latency offset poor answers in an additive reward, the router ranks providers by expected answer quality per service cycle. It combines this capacity-aware score with query-specific quality estimation and LLM-as-judge feedback, allowing it to adapt online to both load changes and provider-quality differences. On the main web-search load benchmark, LQM-ContextRoute improves F1 by +2.18 pp over SW-UCB while staying on the latency-quality frontier. In a high-heterogeneity StrategyQA setting, LQM-ContextRoute avoids additive-reward collapse and improves accuracy by up to +18 pp over SW-UCB; on heterogeneous retriever pools, it improves NDCG by +2.91--+3.22 pp over SW-UCB. These results show that same-function tool routing benefits from treating latency as service capacity, especially when runtime pressure and provider-quality heterogeneity coexist.
Authors: Xiaohua Wang, Kai Yu, XuXiao Liang, Liang Wang, Chao Han
Abstract: The monitoring of fetal heart rate (FHR) and the assessment of its variability are crucial for preventing fetal compromise and adverse outcomes. However, traditional methods encounter limitations arising from equipment performance, data transmission, and subjective assessments by doctors. We have developed a tailored AI-based FHrCTG model specifically for FHR monitoring, which effectively mitigates noise interference and precisely reconstructs signals. Our model was pre-trained on a massive dataset consisting of 558,412 unlabeled data points and further refined using 7,266 expert-reviewed entries. To validate FHR, we introduced the Intersection Overlapping Labels (IOL) approach, which transforms rate analysis into categorical judgments. Testing revealed that our model demonstrates high sensitivity and specificity in detecting critical FHR decelerations (89.13% and 87.78%, respectively) and accelerations (62.5% and 92.04%, respectively). Furthermore, based on Fischer's criteria for clinical application, our model achieved impressive AUC scores of 0.7214 and 0.9643 for verifying FHR periodicity and amplitude variation, respectively.
Authors: Yushen Liu, Yin-Jen Chen, Ziyi Chen, Tao Wang, Heng Huang, Xugui Zhou, Yanfu Zhang
Abstract: Many safety-critical control problems are modeled as risk-sensitive partially observable Markov decision processes, where the controller must make decisions from incomplete observations while balancing task performance against safety risk. Although belief-space planning provides a principled solution, maintaining and planning over beliefs can be computationally costly and sensitive to model specification in practical domains. We propose a lightweight risk-gated reinforcement learning approximation for risk-sensitive control under partial observability. The method constructs a compact finite-history proxy state and learns an action-conditioned predictor of near-term safety violation. This predicted candidate-action risk is used in two complementary ways: as a risk penalty during value learning, and as a decision-time gate that interpolates between optimistic and conservative ensemble value estimates. As a result, low-risk actions are evaluated closer to reward-seeking estimates, while high-risk actions are evaluated more conservatively. We evaluate the approach in two safety-critical partially observable domains: automated glucose regulation and safety-constrained navigation. Across adult and adolescent glucose-control cohorts, the method improves overall glycemic tradeoffs and substantially reduces runtime relative to a belief-space planning baseline. On Safety-Gym navigation benchmarks, it achieves a more favorable reward-cost balance than unconstrained RL and several standard safe-RL baselines. These results suggest that action-conditioned near-term risk can provide an effective local signal for approximate risk-sensitive POMDP control when full belief-space planning is impractical.
Authors: Zhiye Song, Kyungmi Lee, Eun Kyung Lee, Xin Zhang, Tamar Eilam, Anantha P. Chandrakasan
Abstract: We present EnergyLens, an end-to-end framework for energy-aware large language model (LLM) inference optimization. As LLMs scale, predicting and reducing their energy footprint has become critical for sustainability and datacenter operations, yet existing approaches either require production-level code and expensive profiling or fail to accurately capture multi-GPU energy behavior. As a result, practitioners lack tools for deciding which optimizations to prioritize and for selecting among existing deployment configurations when exhaustive profiling is impractical. EnergyLens addresses this gap with an intuitive einsum-based interface that captures LLM specifications including fusion, parallelism, and compute-communication overlap, combined with load-imbalance-aware MoE modeling and an empirically driven communication energy model for multi-GPU settings. We validate EnergyLens on Llama3 and Qwen3-MoE across tensor-parallel and expert-parallel configurations, achieving mean absolute percentage errors (MAPEs) between 9.25% and 13.19% for multi-GPU prefill and decode energy, and 12.97% across SM allocations for Megatron-style overlap. Our energy-driven exploration reveals up to 1.47x and 52.9x energy variation across configurations in prefill and decode efficiency and motivates distributed serving. We further show that compute-communication overlap is difficult to optimize with intuition alone, but EnergyLens correctly identifies Pareto-optimal overlap configurations.
Authors: Kai Sun, Peibo Duan, Yongsheng Huang, Guowei Zhang, Benjamin Smith, Nanxu Gong, Levin Kuhlmann
Abstract: Spiking neural networks (SNNs), which are brain-inspired and spike-driven, achieve high energy efficiency. However, a performance gap between SNNs and artificial neural networks (ANNs) still remains. Knowledge distillation (KD) is commonly adopted to improve SNN performance, but existing methods typically enforce uniform alignment across all timesteps, either from a teacher network or through inter-temporal self-distillation, implicitly assuming that per-timestep predictions should be treated equally. In practice, SNN predictions vary and evolve over time, and intermediate timesteps need not all be individually correct even when the final aggregated output is correct. Under such conditions, effective distillation should not force every timestep toward the same supervision target, but instead provide corrective guidance to erroneous timesteps while preserving useful temporal dynamics. To address this issue, we propose Selective Alignment Knowledge Distillation (SeAl-KD), which selectively aligns class-level and temporal knowledge by equalizing competing logits at erroneous timesteps and reweighting temporal alignment based on confidence and inter-timestep similarity. Extensive experiments on static image and neuromorphic event-based datasets demonstrate consistent improvements over existing distillation methods. The code is available at https://github.com/KaiSUN1/SeAl
Authors: Sibo Jia, Zihang Zhao, Kunrong Li
Abstract: Industrial visual inspection systems increasingly rely on deep classifiers whose heatmap explanations may appear visually plausible while failing to identify the image regions that actually drive model decisions. This paper operationalizes an architecture-aware explanation audit protocol grounded in the native-readout hypothesis: the perturbation-based faithfulness of an explanation method is bounded by its structural distance from the model's native decision mechanism. On WM-811K wafer maps (9 classes, 172k images) under a three-seed zero-fill perturbation protocol, ViT-Tiny + Attention Rollout attains Deletion AUC 0.211 against 0.432-0.525 for Swin-Tiny / ResNet18+CBAM / DenseNet121 + Grad-CAM (abs(Cohen's d) > 1.1), despite lower classification accuracy. Swin-Tiny disentangles architecture family from readout structure: despite being a Transformer, its spatial feature-map hierarchy makes it Grad-CAM compatible, showing that the operative factor is readout structure rather than architecture family. A model-agnostic control (RISE) compresses all families to Deletion AUC about 0.1, indicating the gap arises from the explainer pathway; notably, RISE outperforms all native methods, so native readout is a compatibility principle rather than an optimality guarantee. A blur-fill sensitivity analysis shows that the family ordering reverses under a different perturbation baseline, reinforcing that faithfulness rankings are joint properties of (model, explainer, perturbation operator) triples. An exploratory boundary-condition study on MVTec AD (pretrained models) indicates that audit results are dataset/task dependent and identifies conditions requiring qualification. The protocol yields actionable guidance: explanation pathways should be co-designed with model architectures based on readout structure, and deployed heatmaps should be accompanied by quantitative faithfulness metrics.
Authors: Jesseba Fernando, Grigori Guitchounts
Abstract: Large language models are remarkably capable, yet how computation propagates through their layers remains poorly understood. A growing line of work treats depth as discrete time and the residual stream as a dynamical system, where each layer's nonlinear update has a local linear description. However, previous analyses have relied on scalar summaries or approximate linearizations, leaving the full spectral geometry of trained LLMs unknown. We perform full Jacobian eigendecomposition across three production--scale LLMs and show that training installs a monotonic spectral gradient through depth -- from non-normal, rotation-dominated early layers to near--symmetric late layers -- together with a cumulative low-rank bottleneck that funnels perturbations into a small fraction of the residual stream's effective dimensions. Our experiments reveal that this gradient and the dimensional collapse are learned rather than architectural, and is largely dissolved when structured non-normality is removed. We further show that the topological positioning of graph communities predicts whether the Jacobian amplifies or suppresses them, with the sign of the coupling determined by the local operator type, a relationship absent at initialization. These results map a learned spectral geometry in LLMs that links perturbation propagation and compression to the network's functional topology.
Authors: Kakei Yamamoto, Martin J. Wainwright
Abstract: We introduce and analyze Target-Induced Loss Tilting (TILT) for unsupervised domain adaptation under covariate shift. It is based on a novel objective function that decomposes the source predictor as $f+b$, fits $f+b$ on labeled source data while simultaneously penalizing the auxiliary component $b$ on unlabeled target inputs. The resulting fit $f$ is deployed as the final target predictor. At the population level, we show that this target-side penalty implicitly induces relative importance weighting at the population level, but in terms of an estimand $b^*_f$ that is self-localized to the current error, and remains uniformly bounded for any source-target pair (even those with disjoint supports). We prove a general finite-sample oracle inequality on the excess risk, and use it to give an end-to-end guarantee for training with sparse ReLU networks. Experiments on controlled regression problems and shifted CIFAR-100 distillation show that TILT improves target-domain performance over source-only training, exact importance weighting, and relative density-ratio baselines, with a stable dependence on the regularization parameter.
Authors: Wenxin Chen, Weishen Pan, Kyra Gan, Fei Wang
Abstract: Comparative evaluation of multiple dynamic treatment policies is essential for healthcare and policy decisions, yet conventional longitudinal causal inference methods estimate each in isolation, preventing information sharing across counterfactuals. We demonstrate that this separate estimation paradigm induces a structurally uncontrolled second-order bias, inflating finite-sample variance even after standard debiasing with longitudinal targeted maximum likelihood estimation(LTMLE). To address this, we propose a policy-aware reparameterization of Iterative Conditional Expectation (ICE) Q-functions that enables joint estimation through shared representations. We implement this approach in the Policy-Encoded Q Network (PEQ-Net), an architecture centered on a shared policy encoder. The encoder is trained using kernel mean embeddings, ensuring that the learned representation space reflects population-level policy dissimilarities. After applying an LTMLE correction step, we prove this design imposes a structural constraint on the second-order remainder, thereby stabilizing finite-sample variance. Experiments on semi-synthetic datasets demonstrate that PEQ-Net consistently outperforms existing ICE-based methods, achieving substantial reductions in root-mean-square error, particularly when evaluating closely related policies.
Authors: Weisen Jiang, Shuhao Chen, Sinno Jialin Pan
Abstract: Mixture-of-Experts (MoE) models scale capacity by combining specialized experts, but most existing approaches assume centralized access to training data. In practice, data are distributed across clients and cannot be shared due to privacy constraints, making unified MoE training challenging. We propose MetaMoE, a privacy-preserving framework that unifies independently trained, domain-specialized experts into a single MoE using public proxy data as surrogates for inaccessible private data. Central to MetaMoE is diversity-aware proxy selection, which selects client-domain-relevant and diverse samples from public data to effectively approximate private data distributions and supervise router learning. These proxies are further used to align expert training, improving expert coordination at unification time, while a context-aware router enhances expert selection across heterogeneous inputs. Experiments on computer vision and natural language processing benchmarks demonstrate that MetaMoE consistently outperforms recent privacy-preserving MoE unification methods. Code is available at https://github.com/ws-jiang/MetaMoE.
Authors: Libo Sun, Po-wei Harn, Peixiong He, Xiao Qin
Abstract: KV-cache compression at small budgets is a crowded design space spanning cache representation, head-wise routing, compression cadence, decoding behavior, and within-budget scoring. We study seven mechanisms across these five families under matched mean cache on long-form mathematical reasoning (MATH-500~\cite{hendrycks2021math}) with two distilled-reasoning models (Qwen-7B and Llama-8B variants of DeepSeek-R1-Distill~\cite{deepseek2025r1}) at budgets $b \in \{64, 128\}$. All seven were rejected. We then propose $\alpha$, a one-function modification to the TriAttention~\cite{mao2026triattention} retention scorer that replaces argmax-top-$k$ with greedy facility-location-inspired selection under a V-space redundancy penalty controlled by a single weight $\lambda$. A pre-registered protocol tunes $\lambda$ on a frozen development split and confirms on a disjoint held-out split; with $\lambda = 0.5$, $\alpha$ clears Bonferroni on two of the four (model, budget) cells (Qwen $b{=}128$ and Llama $b{=}64$), no cell is significantly negative, and the pre-registered Branch~A triggers. The finding is asymmetric: a minimal scoring modification beat heavier structural redesigns in this regime, and the combined matched-memory, sympy-graded, held-out confirmation protocol is the evidence standard that made the asymmetry visible.
Authors: Matias Alvo, Daniel Russo, Yash Kanoria
Abstract: We study reinforcement learning in hybrid discrete-continuous action spaces, such as settings where the discrete component selects a regime (or index) and the continuous component optimizes within it -- a structure common in robotics, control, and operations problems. Standard model-free policy gradient methods rely on score-function (SF) estimators and suffer from severe credit-assignment issues in high-dimensional settings, leading to poor gradient quality. On the other hand, differentiable simulation largely sidesteps these issues by backpropagating through a simulator, but the presence of discrete actions or non-smooth dynamics yields biased or uninformative gradients. To address this, we propose Hybrid Policy Optimization (HPO), which backpropagates through the simulator wherever smoothness permits, using a mixed gradient estimator that combines pathwise and SF gradients while maintaining unbiasedness. We also show how problems with action discontinuities can be reformulated in hybrid form, further broadening its applicability. Empirically, HPO substantially outperforms PPO on inventory control and switched linear-quadratic regulator problems, with performance gaps increasing as the continuous action dimension grows. Finally, we characterize the structure of the mixed gradient, showing that its cross term -- which captures how continuous actions influence future discrete decisions -- becomes negligible near a discrete best response, thereby enabling approximate decentralized updates of the continuous and discrete components and reducing variance near optimality. All resources are available at github.com/MatiasAlvo/hybrid-rl.
Authors: Qiyuan Chen, Jiayu Zhou, Raed Al Kontar
Abstract: Domain adaptation faces a fundamental paradox in the cold-start regime. When target data is scarce, statistical methods fail to distinguish relevant source domains from irrelevant ones, which often leads to negative transfer. In this paper, we address this challenge by leveraging expert textual descriptions of the target domain, a resource that is often available but overlooked. We propose a probabilistic framework that translates these semantic descriptions into a choice model, namely a Language-Induced Prior (LIP), that learns the preferences from a pretrained Large Language Model (LLM). The LIP is then integrated into an Expectation-Maximization algorithm to identify source relevance. Methodologically, this framework is compatible with any parametric model where a likelihood is available. It allows the LIP to guide the selection of sources when target signals are weak, while gradually refining these choices as samples accumulate. Theoretically, we prove that the estimator roughly matches an oracle cold-start MSE under a correct prior, while remaining asymptotically consistent regardless of the quality of the LIP. Empirically, we validated the framework on a descriptive (Gaussian estimation), a predictive (C-MAPSS dataset), and a prescriptive task (MuJoCo hopper).
Authors: Zuyuan Zhang, Carlee Joe-Wong, Tian Lan
Abstract: Compositional generalization in sequential decision-making requires identifying which parts of prior rollouts remain useful for new tasks. Existing methods reuse skills or predictive models, but often overlook rich local transition geometry and dynamics. We propose Matrix-Space Reinforcement Learning (MSRL), a geometric abstraction that represents trajectory segments through positive semidefinite matrix descriptors aggregating first- and second-order statistics of lifted one-step transitions. These descriptors expose shared hidden structure, support algebraic composition in an abstract matrix space, and reveal opportunities for transfer. We prove that the descriptor is well defined up to coordinate gauge, complete for the induced low-order additive signal class, additive under valid segment composition, and minimally sufficient among admissible additive descriptors. We further show that conditioning value functions on the trajectory-segment matrix yields a first-order smooth approximation of action values, enabling source-learned matrix-to-value mappings to bootstrap learning in new tasks. MSRL is plug-in compatible with standard model-free and model-based methods, while obstruction filtering rejects implausible compositions. Empirically, MSRL achieves the best average finite-budget target AUC of 0.73, outperforming MSRL from scratch (0.65), TD-MPC-PT+FT (0.63), and TD-MPC (0.57).
Authors: Yuchen Sun, Pei Fu, Shaojie Zhang, Anan Du, Xiuwen Xi, Ruoceng Zhang, Zhenbo Luo, Jian Luan, Chongyang Zhang
Abstract: Test-Time Scaling (TTS), which samples multiple candidate actions and ranks them via a Critic Model, has emerged as a promising paradigm for generalist GUI agents. Its efficacy thus hinges on the critic's fine-grained ranking ability. However, existing GUI critic models uniformly adopt binary classification. Our motivational analysis of these models exposes a severe entanglement: scores for valid actions and plausible-but-invalid distractors become indistinguishable. We attribute this failure to two structural defects: Affordance Collapse--the hierarchical affordance space is compressed into 0/1 labels; and Noise Sensitivity--binary objectives overfit to noisy decision boundaries. To resolve this, we introduce BBCritic (Beyond-Binary Critic), a paradigm shift grounded in the Functional Equivalence Hypothesis. Through two-stage contrastive learning, BBCritic aligns instructions and actions in a shared Affordance Space, recovering the hierarchical structure that binary supervision flattens. We also present BBBench (Beyond-Binary Bench), the first GUI critic benchmark that pairs a dense action space with a hierarchical four-level taxonomy, enabling fine-grained ranking evaluation. Experimental results show that BBCritic-3B, trained without any extra annotation, outperforms 7B-parameter SOTA binary models. It demonstrates strong zero-shot transferability across platforms and tasks, supporting our methodological view: GUI critique is fundamentally a metric-learning problem, not a classification one.
Authors: Ayumu Ueyama, Kazuhiko Kawamoto, Hiroshi Kera
Abstract: Extreme precipitation causes severe societal and economic damage, and weather control has long been discussed as a potential mitigation strategy. However, to the best of our knowledge, perturbation-based interventions for weather control using data-driven weather forecasting models have not yet been explored. While adversarial attacks also generate perturbations that alter forecasts, they aim to exploit model artifacts and do not account for physical plausibility. In this paper, we propose a gradient-based guidance framework for precipitation-reduction interventions through diffusion sampling in diffusion-based weather forecasting models. Instead of directly perturbing atmospheric states, our method steers the diffusion sampling trajectory, enabling precipitation reduction while maintaining consistency with the atmospheric distribution. To assess physical plausibility, we evaluate from three perspectives: (i) vertical and variable-wise perturbation profiles, (ii) latent-space trajectory deviation, and (iii) cross-model transferability. Experiments on extreme precipitation events from WeatherBench2 demonstrate that our method achieves effective precipitation reduction while yielding more physically plausible interventions than adversarial perturbations.
Authors: Fangyuan Yu, Xin Su, Amir Abdullah
Abstract: We investigate the temporal concatenation of sub-policies in Markov Decision Processes (MDP) with time-varying reward functions. We introduce General Dijkstra Search (GDS), and prove that globally optimal goal-reaching policies can be recovered through temporal composition of intermediate optimal sub-policies. Motivated by the "search, select, update" principle underlying GDS, we propose Dynamic Latent Routing (DLR), a language-model post-training method that jointly learns discrete latent codes, routing policies, and model parameters through dynamic search in a single training stage. In low-data fine-tuning settings, DLR matches or outperforms supervised fine-tuning across four datasets and six models, achieving a mean gain of +6.6 percentage points, while prior discrete-latent baselines consistently underperform SFT. Mechanistic analyses and targeted code ablations show that DLR learns structured routing behaviors with distinct causal roles.
Authors: Yerin Park, Sangseon Lee
Abstract: Drug-drug interaction (DDI) prediction is a critical task in computational biomedicine, as adverse interactions between co-administered drugs can cause severe side effects and clinical risks. A key challenge is unseen-drug generalization, where interactions must be predicted for drugs not observed during training. Although multimodal DDI models exploit diverse drug-related information, their fusion mechanisms are often tied to specific prediction architectures, limiting their reuse across models. To address this, we propose AIM-DDI, an architecture-independent multimodal integration module that represents heterogeneous modality information as tokens in a shared latent space. By modeling dependencies across modality tokens through a unified fusion module, AIM-DDI enables model-agnostic integration of structural, chemical, and semantic drug signals across different DDI prediction architectures. Extensive evaluations across diverse DDI models and DrugBank-based settings show that AIM-DDI consistently improves prediction performance, with the strongest gains under the most challenging both-unseen setting where neither drug in a test pair is observed during training. These results suggest that treating multimodal integration as a reusable module, rather than a model-specific fusion component, is an effective strategy for robust unseen-drug DDI prediction.
Authors: Yuanyuan Gao, Yilong Hou, Zhexiao Lin
Abstract: Nearest-neighbor methods are fundamental to classical and modern machine learning, yet their geometric properties are typically analyzed under independent sampling. In this paper, we study the nearest-neighbor radii under dependent sampling. We consider strong mixing dependent observations and ask whether dependence changes the scale of nearest-neighbor neighborhoods. We establish distribution-free almost sure convergence under polynomial mixing and sharp non-asymptotic moment bounds under geometric mixing. The moment bounds depend on the local intrinsic dimension rather than the ambient dimension, making the results applicable to high-dimensional data concentrated near lower-dimensional manifolds. Synthetic experiments and real-world time-series benchmarks support the theory, showing that nearest-neighbor geometry remains informative under dependence sampling.
Authors: Jessica Rumbelow
Abstract: We introduce Exemplar Partitioning (EP), an unsupervised method for constructing interpretable feature dictionaries from large language model activations with $\sim 10^{3}\times$ fewer tokens than comparable sparse autoencoders (SAEs). An EP dictionary is a Voronoi partition of activation space, built by leader-clustering streamed activations within a distance threshold. Each region is anchored by an observed exemplar that serves as both its membership criterion and intervention direction; dictionary size is not prespecified, but determined by the activation geometry at that threshold. Because exemplars are observed rather than learned, dictionaries built from the same data stream are directly comparable across layers, models, and training checkpoints. We characterise EP as an interpretability object via targeted demonstrations of properties newly accessible through this construction, plus one head-to-head benchmark. In Gemma-2-2B, EP dictionary regions are interpretable and support causal interventions: refusal in instruction-tuned Gemma concentrates in a region whose exemplar ablation can collapse held-out refusal. Cross-checkpoint matching between base and instruction-tuned dictionaries separates the directions preserved through finetuning from those introduced by it. EP regions and Gemma Scope SAE features decompose activation space differently but agree on a shared core: $\sim 20\%$ of EP regions match an SAE feature at $F_{1} > 0.5$, and EP one-hot probes retain $\sim 97\%$ of raw-activation probe accuracy at $\ell_{0} = 1$. Nearest-exemplar distance provides a free out-of-distribution signal at inference. On AxBench latent concept detection at Gemma-2-2B-it L20, EP at $p_{1}$ reaches mean AUROC $0.881$, $+0.126$ over the canonical GemmaScope SAE leaderboard entry and within $0.030$ of SAE-A's $0.911$, at $\sim 10^{3}\times$ less build compute.
Authors: Nicholas E. Corrado, Wenyuan Huang, Josiah P. Hanna
Abstract: Multi-task reinforcement learning (MTRL) aims to train a single agent to efficiently optimize performance across multiple tasks simultaneously. However, jointly optimizing all tasks often yields imbalanced learning: agents quickly solve easy tasks but learn slowly on harder ones. While prior work primarily attributes this imbalance to conflicting task gradients and proposes gradient manipulation or specialized architectures to address it, we instead focus on a distinct and under-explored challenge: imbalanced data allocation. Standard MTRL allocates an equal number of environment interactions to each task, which over-allocates data to easy tasks that require relatively few interactions to solve and under-allocates data to hard tasks that require substantially more experience to solve. To address this challenge, we introduce Distributionally Robust Adaptive Task Sampling (DRATS), an algorithm that adaptively prioritizes sampling tasks furthest from being solved. We derive DRATS by formalizing MTRL as a feasibility problem from which we derive a minimax objective for minimizing the worst-case return gap, the difference between a desired target return and the agent's return on a task. In benchmarks like MetaWorld-MT10 and MT50, DRATS improves data efficiency and increases worst-task performance compared to existing task sampling algorithms.
Authors: Zhengjia Zhong, Shuyan Ke, Zaizhou Lin, Jiaqi Song, Hongyi Lan, Hui Li
Abstract: Vector quantization is a fundamental tool for compressing high-dimensional embeddings, yet existing multi-codebook methods rely on static codebooks that limit expressiveness under heterogeneous data geometry. While recent dynamic quantizers like QINCo adapt codebooks to individual inputs and improve expressiveness, their strict sequential dependencies create decoding bottlenecks. We propose Residual Quantization via Mixture of Experts (RQ-MoE), a framework combining a two-level MoE with dual-stream quantization to enable input-dependent codebook adaptation for efficient vector quantization. RQ-MoE enables dynamic codebook construction and decouples instruction from quantization, facilitating parallel decoding. Theoretically, we show that standard Residual Quantization and QINCo can be recovered as constrained special cases of RQ-MoE, and derive a guideline for setting expert dimensionality in RQ-MoE. Extensive experiments show that RQ-MoE achieves state-of-the-art or on-par performance in reconstruction and retrieval, while providing 6x-14x faster decoding than prior vector quantization methods. The implementation is available at https://github.com/KDEGroup/RQ-MoE.
Authors: Jiaqi Sun, Boyang Sun, Mohamad Rasmy, Xiangchen Song, Kun Zhang
Abstract: Continual learning requires models to adapt to new data while preserving previously acquired knowledge. At its core, this challenge can be viewed as principled one-step adaptation: incorporating new information with minimal interference to existing representations. Most existing approaches address this challenge by modifying model parameters or architectures in a supervised, task-specific manner. However, the underlying issue is representational: tasks require distinct yet structured representations that can be selectively updated without disrupting representations, while structure should reflect intrinsic organization in the data rather than task boundaries. In sequential data, time-delayed dependencies provide a natural signal for uncovering this organization, revealing how fundamental representations give rise to more specific ones. Inspired by the modular organization of the human brain, we propose MoRe, a framework that identifies modularity in the representation itself rather than allocating it at the architectural level. MoRe decomposes knowledge into a hierarchy of fundamental and specific modules with identifiability guarantees, enabling principled module reuse, alignment, and expansion during adaptation while preserving old modules by construction. Experiments on synthetic benchmarks and real-world LLM activations demonstrate interpretable hierarchical structure, improved plasticity-stability trade-offs, suggesting MoRe as a principled foundation for continual adaptation
Authors: Changryeol Choi, Hyewon Park, Yujin Kwon, Gowun Jeong
Abstract: Recent tabular learning benchmarks increasingly show a tight performance cluster rather than a clear hierarchy among leading methods, spanning gradient boosted decision trees, attention-based architectures, and implicit ensembles such as TabM. As benchmark gains plateau, a complementary goal is to understand and control the mechanisms that make simple neural tabular models competitive. We propose LoMETab, a rank-$r$ generalization of multiplicative implicit ensembles. LoMETab lifts the rank-1 BatchEnsemble/TabM modulation to a rank-$r$ identity-residual Hadamard family by parameterizing each member weight as $W_k = W \odot (1 + A_kB_k^\top)$, where $W$ is shared and $(A_k, B_k)$ are member-specific low-rank factors. This exposes two practical diversity-control axes: the adapter rank $r$ and the initialization scale $\sigma_{\mathrm{init}}$, and we prove that for $r \ge 2$ this generalization strictly enlarges BatchEnsemble's hypothesis class. Empirically, we show that this added capacity manifests as measurable predictive diversity after training: on representative classification datasets, LoMETab sustains higher pairwise KL than an additive low-rank ablation, and $(r, \sigma_{\mathrm{init}})$ provides broad control over pairwise KL, varying by up to several orders of magnitude across configurations. The induced diversity is reflected in task-appropriate output-level measures: argmax disagreement for classification and ambiguity for regression, indicating that the control extends beyond pairwise KL to decision- and output-level member variation. Finally, experiments sweeping over adapter rank $r$ and initialization scale $\sigma_{\mathrm{init}}$ reveal that predictive performance is dataset-dependent over the $(r, \sigma_{\mathrm{init}})$ grid, supporting LoMETab as a controllable family of implicit ensembles rather than a fixed rank-1 construction.
Authors: Chen Liang, Xiatao Sun, Qian Wang, Daniel Rakita
Abstract: Zeroth-Order (ZO) optimization is pivotal for scenarios where backpropagation is unavailable, such as memory-constrained on-device learning and black-box optimization. However, existing methods face a stark trade-off: they are either sample-inefficient (e.g., standard finite differences) or suffer from high variance due to randomized estimation (e.g., random subspace methods). In this work, we propose Coherent Coordinate Descent (CoCD), a deterministic, sample-efficient, and budget-aware ZO optimizer. Theoretically, we formalize the notion of gradient coherence and demonstrate that CoCD is equivalent to Block Cyclic Coordinate Descent (BCCD) with ``warm starts,'' effectively converting historical (stale) gradients from a liability into a computational asset. This mechanism enables $O(1)$ query complexity per step while maintaining global descent directions. Furthermore, we derive error bounds revealing a counter-intuitive insight: larger finite-difference step sizes can induce an implicit smoothing effect on the optimization landscape by reducing the effective smoothness constant, thereby improving convergence stability. Experiments on MLP, CNN, and ResNet architectures (up to 270k parameters) demonstrate that CoCD significantly outperforms BCCD in terms of sample efficiency and convergence loss/accuracy, and exhibits superior stability over randomized ZO methods. Our results suggest that deterministic, structure-aware updates offer a superior alternative to randomization for lightweight ZO optimization.
Authors: Young-Chae Hong, Yangho Chen
Abstract: Pattern discovery in data plays a crucial role across diverse domains, including healthcare, risk assessment, and machinery maintenance. In contrast to black-box deep learning models, symbolic rule discovery emerges as a key data mining task, generating human-interpretable rules that offer both transparency and intuitive explainability. This paper introduces the Optimal Pattern Detection Tree (OPDT), a rule-based machine learning model based on novel mixed-integer programming to discover a single optimal pattern in data through binary classification. To incorporate prior knowledge and compliance requirements, we further introduce the Branching Structure Constraints (BSC) framework, which enables decision makers to encode domain knowledge and constraints directly into the model. This optimization-based approach discovers a hidden underlying pattern in datasets, when it exists, by identifying an optimal rule that maximizes coverage while minimizing the false positive rate due to misclassification. Our computational experiments show that OPDT discovers a pattern with optimality guarantees on moderately sized datasets within reasonable runtime.
Authors: JB Lanier, Nathan Monette, Pierre Baldi, Roy Fox
Abstract: Finding approximate equilibria for large-scale imperfect-information competitive games such as StarCraft, Dota, and CounterStrike remains computationally infeasible due to sparse rewards and challenging exploration over long horizons. In this paper, we propose a multi-agent starting-state sampling strategy designed to substantially accelerate online exploration in regularized policy-gradient game methods for two-player zero-sum (2p0s) games. Motivated by an assumption that offline demonstrations from skilled humans can provide good coverage of high-level strategies relevant to equilibrium play, we propose the initialization of reinforcement learning data collection at intermediate states sampled from offline data to facilitate exploration of strategically relevant subgames. Referring to this method as Data-Augmented Game Starts (DAGS), we perform experiments using synthetic datasets and analytically tractable, long-horizon control variants of two-player Kuhn Poker, Goofspiel, and a counterexample game designed to penalize biased beliefs over hidden information. Under fixed computational budgets, DAGS enables regularized policy gradient methods to achieve lower exploitability in games with significantly more challenging exploration. We show that augmenting starting state distributions when solving imperfect information games can lead to biased equilibria, and we provide a straightforward mitigation to this in the form of multi-task observation flags. Finally, we release a new set of benchmark environments that drastically increase exploration challenges and state counts in existing OpenSpiel games while keeping exploitability measurements analytically tractable.
Authors: Qazi Mamunur Rashid, Xuan Yang, Zhengzhe Yang, Yanzhou Pan, Erin van Liemt, Darlene Neal, Kshitij Pancholi, Jamila Smith-Loud
Abstract: Recent advancements in generative AI facilitate large-scale synthetic data generation for model evaluation. However, without targeted approaches, these datasets often lack the sociotechnical nuance required for sensitive domains. We introduce NodeSynth, an evidence-grounded methodology that generates socially relevant synthetic queries by leveraging a fine-tuned taxonomy generator (TaG) anchored in real-world evidence. Evaluated against four mainstream LLMs (e.g., Claude 4.5 Haiku), NodeSynth elicited failure rates up to five times higher than human-authored benchmarks. Ablation studies confirm that our granular taxonomic expansion significantly drives these failure rates, while independent validation reveals critical deficiencies in prominent guard models (e.g., Llama-Guard-3). We open-source our end-to-end research prototype and datasets to enable scalable, high-stakes model evaluation and targeted safety interventions (https://github.com/google-research/nodesynth).
Authors: Joon-Hyuk Ko, Andrus Giraldo, Deok-Sun Lee
Abstract: Chaotic systems pose fundamental challenges for data-driven dynamics discovery, as small modeling errors lead to exponentially growing trajectory discrepancies. Since exact long-term prediction is unattainable, it is natural to ask what a good surrogate model for chaotic dynamics is. Prior work has largely focused either on reproducing the Jacobian of the underlying dynamics, which governs local expansion and contraction rates, or on training surrogate models that reproduce the ground-truth dynamics' long-term statistical behavior. In this work, we propose a new framework that aims to bridge these two paradigms by training surrogate dynamics models with accurate Jacobians and long-term statistical properties. Our method constructs a local covering of a chaotic attractor in phase space and analyzes the expansion and contraction of these coverings under the dynamics. The surrogate model is trained by minimizing the maximum mean discrepancy between the pushforward distributions of the coverings under the surrogate and ground-truth dynamics. Experiments show that our method significantly improves Jacobian accuracy while remaining competitive with state-of-the-art statistically accurate dynamics learning methods. Our code is fully available at https://anonymous.4open.science/r/neighborwatch.
Authors: Yuhao Liu, Sadeer Al-Kindi, Ashok Veeraraghavan, Guha Balakrishnan
Abstract: Large-scale pretraining on Earth observation imagery has yielded powerful representations of the natural and built environment. However, most existing geospatial foundation models do not directly model the structured socioeconomic covariates typically stored in tabular form. This modality gap limits their ability to capture the complete total environment, which is critical for reasoning about complex environmental, social, and health-related outcomes. In this work, we propose GeoViSTA (Geospatial Vision-Tabular Transformer), a vision-tabular architecture that learns unified geospatial embeddings from co-registered gridded imagery and tabular data. GeoViSTA utilizes bilateral cross-attention to exchange spatial and semantic information across modalities, guided by a geography-aware attention mechanism that aligns continuous image patches with irregular census-tract tokens. We train GeoViSTA with a self-supervised joint masked-autoencoding objective, forcing it to recover missing image patches and tabular rows using local spatial context and cross-modal cues. Empirically, GeoViSTA's unified embeddings improve linear probing performance on high-impact downstream tasks, outperforming baselines in predicting disease-specific mortality and fire hazard frequency across held-out regions. These results demonstrate that jointly modeling the physical environment alongside structured socioeconomic context yields highly transferable representations for holistic geospatial inference.
Authors: Donghwan Kim, Hyunsoo Yoon
Abstract: Out-of-distribution (OOD) detection is a critical component for ensuring the reliability of deep neural networks in safety-critical applications. In this work, we present a key empirical observation: for in-distribution (ID) samples, class-wise Mahalanobis distances exhibit a pronounced sharp minimum structure, where the distance to the nearest class is small while distances to all other classes remain large, resulting in high variance across classes. In contrast, OOD samples tend to exhibit a less pronounced sharp minimum structure, producing comparatively lower variance across classes. We further provide a theoretical analysis grounding this observation in Neural Collapse geometry: under relaxed Neural Collapse assumptions on within-class compactness and inter-class separation, ID samples are shown to structurally exhibit high class-wise distance variance, offering a theoretical basis for its use as an OOD score. Motivated by this observation and its theoretical backing, we propose MahaVar, a simple and effective post-hoc OOD detector that augments the Mahalanobis distance with a class-wise distance variance term. Following the OpenOOD v1.5 benchmark protocol, MahaVar achieves state-of-the-art performance on CIFAR-100 and ImageNet, with consistent improvements in both AUROC and FPR@95 over existing Mahalanobis-based methods across all benchmarks.
Authors: Shuqi Gu, Yongxiang Zhao, Baoyu Jing, Kan Ren
Abstract: Time series forecasting has become increasingly critical in real-world scenarios, where future sequences are influenced not only by historical patterns but also by forthcoming events. In this context, forecasting must dynamically adapt to complex and stochastic future conditions, which introduces fundamental challenges in both forecasting and evaluation. Traditional methods typically rely on historical data or factual future conditions, while overlooking counterfactual scenarios. Furthermore, many existing approaches are restricted to simple structured conditions, limiting their ability to generalize to the real-world complexities. To address these gaps, we introduce the task of counterfactual time series forecasting with textual conditions, enabling more flexible and condition-aware forecasting. We propose a comprehensive evaluation framework that encompasses both factual and counterfactual settings, even in the absence of ground truth time series. Additionally, we present a novel text-attribution mechanism that distinguishes mutable from immutable factors, thereby improving forecast accuracy under sophisticated and stochastic textual conditions. The project page is at https://seqml.github.io/TADiff/
Authors: Leo Muxing Wang, Pengkun Yang, Lili Su
Abstract: Despite the popularity of the actor-critic method and the practical needs of collaborative policy training, existing works typically either overlook environmental heterogeneity or give up personalization altogether by training a single shared policy across all agents. We consider a federated actor-critic framework in which agents share a common linear subspace representation while maintaining personalized local policy components, and agents iteratively estimate the common subspace, local critic heads, and local policies (i.e., actors). Under canonical single-timescale updates with Markovian sampling, we establish finite-time convergence via a novel joint linear approximation framework. Specifically, we show that the critic error converges to zero at the rate of $\tilde{\mathcal{O}}(1/((1-\gamma)^4\sqrt{TK}))$, and the policy gradient norm converges to zero at the rate of $\tilde{\mathcal{O}}(1/((1-\gamma)^6\sqrt{TK}))$, where $T$ is the number of rounds, $K$ is the number of agents, and $\gamma\in (0,1)$ is the discount factor. These results demonstrate linear speedup with respect to the number of agents $K$, despite heterogeneous Markovian trajectories under distinct transition kernels and coupled learning dynamics. To address these challenges, we develop a new perturbation analysis for the projected subspace updates and QR decomposition steps, together with conditional mixing arguments for heterogeneous Markovian noise. Furthermore, to handle the additional complications induced by policy updates and temporal dependence, we establish fine-grained characterizations of the discrepancies between function evaluations under Markovian sampling and under temporally frozen policies. Experiments instantiate the framework within PPO on federated \texttt{Hopper-v5} action-map heterogeneity, showing gains over Single PPO and FedAvg PPO and downstream transfer from the learned shared trunk.
Authors: Runyuan He, Qiuyang Mang, Shang Zhou, Kaiyuan Liu, Hanchen Li, Huanzhi Mao, Qizheng Zhang, Zerui Li, Bo Peng, Lufeng Cheng, Tianfu Fu, Yichuan Wang, Wenhao Chai, Jingbo Shang, Alex Dimakis, Joseph E. Gonzalez, Alvin Cheung
Abstract: Many real-world coding challenges are open-ended and admit no known optimal solution. Yet, recent progress in LLM coding has focused on well-defined tasks such as feature implementation, bug fixing, and competitive programming. Open-ended coding remains a weak spot for LLMs, largely because open-ended training problems are scarce and expensive to construct. Our goal is to synthesize open-ended coding problems at scale to train stronger LLM coders. We introduce FrontierSmith, an automated system for iteratively evolving open-ended problems from existing closed-ended coding tasks. Starting from competitive programming problems, FrontierSmith generates candidate open-ended variants by changing the problems'goals, restricting outputs, and generalizing inputs. It then uses a quantitative idea divergence metric to select problems that elicit genuinely diverse approaches from different solvers. Agents then generate test cases and verifiers for the surviving candidates. On two open-ended coding benchmarks, training on our synthesized data yields substantial gains over the base models: Qwen3.5-9B improves by +8.82 score on FrontierCS and +306.36 (Elo-rating-based performance) on ALE-bench; Qwen3.5-27B improves by +12.12 and +309.12, respectively. The synthesized problems also make agents take more turns and use more tokens, similar to human-curated ones, suggesting that closed-ended seeds can be a practical starting point for long-horizon coding data.
Authors: Siyang Yao, Erhu Feng, Yubin Xia
Abstract: Hallucination detection in large language models (LLMs) requires balancing accu racy, efficiency, and robustness to distribution shift. Black-box consistency methods are effective but demand repeated inference; single-pass white-box probes are effi cient yet treat answer representations in isolation, often degrading sharply under domain shift. We propose QAOD (Question-Answer Orthogonal Decomposition), a single-pass framework that projects away the question-aligned direction from the answer representation to obtain a question-orthogonal component that suppresses domain-conditioned variation. To identify informative signals, QAOD further selects layers via diversity-penalized Fisher scoring and discriminative neurons via Fisher importance. To address both in-domain detection and cross-domain generalization, we design two complementary probing strategies: pairing the or thogonal component with question context yields a joint probe that maximizes in-domain discriminability, while using the orthogonal component alone preserves domain-agnostic factuality signals for robust transfer. QAOD's joint probe achieves the best in-domain AUROC across all evaluated model-dataset pairs, while the orthogonal-only probe delivers the strongest OOD transfer, surpassing the best white-box baseline by up to 21% on BioASQ at under 25% of generation cost.
Authors: Minbeom Kim, Lesly Miculicich, Bhavana Dalvi Mishra, Mihir Parmar, Phillip Wallis, Bharath Chandrasekhar, Kyomin Jung, Tomas Pfister, Long T. Le
Abstract: As AI agents move from chat interfaces to systems that read private data, call tools, and execute multi-step workflows, guardrails become a last line of defense against concrete deployment harms. In these settings, guardrail failures are no longer merely answer-quality errors: they can leak secrets, authorize unsafe actions, or block legitimate work. The hardest failures are often contextual: whether an action is acceptable depends on local privacy norms, organizational policies, and user expectations that resist pre-deployment specification. This creates a practical gap: guardrails must adapt to their own operating environments, yet deployment feedback is typically limited to sparse, noisy user-reported failures, and repeated fine-tuning is often impractical. To address this gap, we propose LiSA (Lifelong Safety Adaptation), a conservative policy induction framework that improves a fixed base guardrail through structured memory. LiSA converts occasional failures into reusable policy abstractions so that sparse reports can generalize beyond individual cases, adds conflict-aware local rules to prevent overgeneralization in mixed-label contexts, and applies evidence-aware confidence gating via a posterior lower bound, so that memory reuse scales with accumulated evidence rather than empirical accuracy alone. Across PrivacyLens+, ConFaide+, and AgentHarm, LiSA consistently outperforms strong memory-based baselines under sparse feedback, remains robust under noisy user feedback even at 20% label-flip rates, and pushes the latency--performance frontier beyond backbone model scaling. Ultimately, LiSA offers a practical path to secure AI agents against the unpredictable long tail of real-world edge risks.
Authors: Elias Zavitsanos, Georgios Paliouras
Abstract: We propose a new method of learning from positive and unlabeled (PU) examples in highly imbalanced datasets. Many real-world problems, such as disease gene identification, targeted marketing, fraud detection, and recommender systems, are hard to address with machine learning methods, due to limited labeled data. Often, training data comprises positive and unlabeled instances, the latter typically being dominated by negative, but including also several positive instances. While PU learning is well-studied, few methods address imbalanced settings or hard-to-detect positive examples that resemble negative ones. Our approach uses a focused empirical risk estimator, incorporating both positive and unlabeled examples to train binary classifiers. Empirical evaluations demonstrate state-of-the-art performance on imbalanced datasets under two labeling mechanisms - selecting positives completely at random (SCAR) and selecting at random (SAR). Beyond these controlled experiments, we demonstrate the value of the proposed method in the real-world application of financial misstatement detection.
Authors: Weijia Xu, Alessandro Sordoni, Chandan Singh, Zelalem Gero, Michel Galley, Xingdi Yuan, Jianfeng Gao
Abstract: We introduce EvoLib, a test-time learning framework that enables large language models to accumulate, reuse, and evolve knowledge across problem instances without parameter updates or external supervision. Instead of adapting model parameters, our approach maintains a shared library of knowledge abstractions, including modular skills and reflective insights, automatically extracted from the model's own inference trajectories. To support continual improvement, we introduce a principled weighting and consolidation mechanism that jointly optimizes for immediate utility and long-term value. This allows simple, instance-specific abstractions to evolve into more general and reusable ones over time. Across challenging benchmarks in mathematical reasoning, code generation, and multi-turn agentic environments, EvoLib improves substantially over the top test-time scaling and learning methods without ground-truth feedback.
Authors: Sergio Vanegas, Lasse Lensu, Fredy Ruiz
Abstract: Building black-box models for dynamical systems from data is a challenging problem in machine learning, especially when asymptotic stability guarantees are required. In this paper, we introduce a novel stability-ensuring and backpropagation-compatible projection scheme based on the Schur decomposition for the state matrix of linear discrete-time state-space layers, as well as an alternative pre-factorized formulation of the methodology. The proposed methods dynamically project the quasi-triangular factor of the state matrix's real Schur decomposition onto its nearest stable peer, ensuring stable dynamics with minimal overparameterization. Experiments on synthetic linear systems demonstrate that the method achieves accuracy and convergence rates comparable to those of state-of-the-art stable-system identification techniques, despite a marginal increase in computational complexity. Furthermore, the lower weight count facilitates convergence during training without sacrificing accuracy in stacked neural-network architectures with static nonlinearities targeting real-world datasets. These results suggest that the Schur-based projection provides a numerically robust framework for identifying complex dynamics on par with the State of the Art while satisfying strict asymptotic-stability requirements.
Authors: Letian Yang (Shanghai Jiao Tong University, Shanghai, China), Xu Liu (Shanghai Jiao Tong University, Shanghai, China), Yiqiang Lu (Ant Group, Shanghai, China), Jian Liu (Ant Group, Shanghai, China), Weiqiang Wang (Ant Group, Shanghai, China), Shuai Li (Shanghai Jiao Tong University, Shanghai, China)
Abstract: Offline-to-online reinforcement learning harnesses the stability of offline pretraining and the flexibility of online fine-tuning. A key challenge lies in the non-stationary distribution shift between offline datasets and the evolving online policy. Common approaches often rely on static mixing ratios or heuristic-based replay strategies, which lack adaptability to different environments and varying training dynamics, resulting in suboptimal tradeoff between stability and asymptotic performance. In this work, we propose Reinforcement Learning with Optimized Adaptive Data-mixing (ROAD), a dynamic plug-and-play framework that automates the data replay process. We identify a fundamental objective misalignment in existing approaches. To tackle this, we formulate the data selection problem as a bi-level optimization process, interpreting the data mixing strategy as a meta-decision governing the policy performance (outer-level) during online fine-tuning, while the conventional Q-learning updates operate at the inner level. To make it tractable, we propose a practical algorithm using a multi-armed bandit mechanism. This is guided by a surrogate objective approximating the bi-level gradient, which simultaneously maintains offline priors and prevents value overestimation. Our empirical results demonstrate that this approach consistently outperforms existing data replay methods across various datasets, eliminating the need for manual, context-specific adjustments while achieving superior stability and asymptotic performance.
Authors: Yuxin Guo, Yihao Yue, Yunhao Ni, Yizhou Ruan, Jie Luo, Wenjun Wu, Lei Huang
Abstract: Layer normalization (LN) is a fundamental component in modern deep learning, but its per-sample centering and scaling introduce non-negligible inference overhead. RMSNorm improves efficiency by removing the centering operation, yet this may discard benefits associated with centering. This paper propose a framework to determine whether an LN in an arbitrary DNN can be replaced by RMSNorm without changing the model function. The key idea is to fold LN's centering operation into upstream general linear layers by enforcing zero-mean outputs through the column-centered constraint (CCC) and column-based weight centering (CBWC). We extend the analysis to arbitrary DNNs, define such LNs as foldable LNs, and develop a graph-based detection algorithm. Our analysis shows that many LNs in widely used architectures are foldable, enabling exact inference-time conversion and end-to-end acceleration of 2% to 12% without changing model predictions. Experiments across multiple task families further show that, when exact equivalence is partially broken in practical training settings, our method remains competitive with vanilla LN while improving efficiency.
Authors: Wenwen Li, Yuki Orimo, Nontawat Charoenphakdee
Abstract: Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning procedures. Existing automated pipelines typically assume a fixed sequence of stages or depend on domain experts, which limits their adaptability to heterogeneous materials systems where the optimal curriculum is not known in advance. To lower the barrier to developing MLIPs for non-experts, we propose Lang2MLIP, a multi-agent framework that takes natural-language input and formulates end-to-end MLIP development as a sequential decision-making problem solved by large language models (LLMs). At each step, a decision-making agent observes the current dataset, model, evaluation results, and execution log, and then automatically selects an appropriate action to improve the model. This removes the need for a predefined pipeline and enables the agent to self-correct by revisiting earlier subsystems when new failures arise. We evaluate this approach on a solid electrolyte interphase (SEI) system with multiple components and interfaces. These results suggest that LLM-based multi-agent systems are a promising direction for automating MLIP development and making it more accessible to non-experts.
Authors: Stef De Sabbata, Rahul Baiju, Stefano Mizzaro, Kevin Roitero
Abstract: The increased use of Large Language Models (LLMs) in geography raises substantial questions about the safety of integrating these tools across a wide range of processes and analyses, given our very limited understanding of their inner workings. In this extended abstract, we examine how LLMs process relative geographic space using activation patching, an emerging tool for mechanistic interpretability.
Authors: Shuhao Chen, Weisen Jiang, Changmiao Wang, Xiaoqing Wu, Xuanren Shi, Yu Zhang, James T. Kwok
Abstract: Inpatient medication recommendation requires clinicians to repeatedly select specific medications, doses, and routes as a patient's condition evolves. Existing benchmarks formulate this task as admission-level prediction over coarse drug codes with multi-hot diagnostic and procedure code inputs, failing to capture the per-timepoint, information-rich nature of real prescribing. We propose RxEval, a prescription-level benchmark that evaluates LLM prescribing capability by multiple-choice questions: each question presents a detailed patient profile and time-ordered clinical trajectory, requiring selection of specific medication-dose-route triples from real prescriptions and patient-specific distractors generated via reasoning-chain perturbation. RxEval comprises 1,547 questions spanning 584 patients, 18 diagnostic categories, and 969 unique medications. Evaluation of 16 LLMs shows that RxEval is both challenging and discriminative: F1 ranges from 45.18 to 77.10 across models, and the best Exact Match is only 46.10%. Error analysis reveals that even frontier models may overlook stated patient information and fail to derive clinical conclusions.
Authors: Pengkai Wang, Pengwei Liu, Yuanyi Wang, Guanyu Chen, Xingyu Ren, Xiaolong Li, Zhongkai Hao, Yuting Kong, Qixin Zhang, Dong Ni
Abstract: Recent advances in neural operators have made partial differential equation (PDE) surrogate modeling increasingly scalable and transferable through large-scale pretraining and in-context adaptation. However, after a shared operator is fine-tuned to multiple regimes within a continuous physical family, it remains unclear whether the resulting weight-space updates merely form isolated regime experts or reveal reusable physical structure. Starting from a shared family anchor, we fine-tune low- and high-regime endpoint experts and show that their updates can be separated into a family-shared adaptation and a direction aligned with the underlying physical parameter. This separation reinterprets endpoint experts as finite-difference probes of a local physical direction in weight space, explaining why static averaging can interpolate between regimes but attenuates endpoint-specific physics. Building on this perspective, we propose Calibration-Conditioned Merge (CCM), a post-hoc coordinate readout method for composing neural PDE experts along this physical direction. Given physical metadata, a calibrated coordinate mapping, or a short observed rollout prefix, CCM infers the target composition coordinate and deploys a single merged checkpoint for the remaining rollout. We evaluate CCM on the reaction--diffusion system, viscosity-parameterized two-dimensional Navier--Stokes equations, and radial dam-break dynamics. Across these benchmarks, CCM achieves its strongest gains in extrapolative regimes, reducing out-of-distribution rollout error relative to the family anchor by 54.2%, 42.8%, and 13.8%, respectively. Further experiments across FNO scales, a DPOT-style backbone, and ablations confirm that endpoint fine-tuning is not arbitrary checkpoint drift, but reveals a calibratable physical direction for training-free transfer across PDE regimes.
Authors: Phuc Truong Loc Nguyen, Thanh Hung Do, Truong Thanh Hung Nguyen, Hung Cao
Abstract: Artificial intelligence in high-stakes tabular domains cannot be evaluated by predictive performance alone, yet current practice still assesses explainability, fairness, robustness, privacy, and sustainability mostly in isolation. We propose the Model Integrity and Responsibility Assessment Index (MIRAI), a unified evaluation framework that measures tabular models across these five dimensions under a controlled comparison setting and aggregates them into a single score. MIRAI combines established metrics through normalized and direction-aligned dimension scores, which enables direct comparison across models with different architectural and computational profiles. Experiments on healthcare, financial, and socioeconomic datasets show that higher predictive performance does not necessarily imply better overall integrity and responsibility. In several cases, simpler models achieve a stronger cross-dimensional balance than more complex deep tabular architectures. MIRAI provides a compact and practical basis for responsible model selection in regulated settings.
Authors: Hao Li, Lu Zhang, Liu Chong, Yankai Chen, Pengyang Wang, Yingjie Zhou
Abstract: Instance normalization (IN) is widely used in non-stationary multivariate time series forecasting to reduce distribution shifts and highlight common patterns across samples. However, IN can over-smooth instance-specific structural information that is essential for modeling temporal and cross-channel heterogeneity. While prior methods further suppress distribution discrepancies or attempt to recover temporal specific dependencies, they often ignore a central tension: how to adaptively model common and instance-specific dependency based on each instance's non-stationary structures. To address this dilemma, we propose SeesawNet, a unified architecture that dynamically balances common and instance-specific dependency modeling in both temporal and channel dimensions. At its core is Adaptive Stationary-Nonstationary Attention (ASNA), which captures common dependencies from normalized sequences and specific dependencies from raw sequences, and adaptively fuses them according to instance-level non-stationarity. Built upon ASNA, SeesawNet alternates dedicated temporal and channel relationship modeling to jointly capture long-range and cross-variable dependencies. Extensive experiments on multiple real-world benchmarks demonstrate that SeesawNet consistently outperforms state-of-the-art methods.
Authors: Donghao Li, Chengshuai Shi, Weijuan Ou, Cong Shen, Jing Yang
Abstract: Prompt engineering has become central to eliciting the capabilities of large language models (LLMs). At its core lies prompt selection -- efficiently identifying the most effective prompts. However, most prior investigations overlook a key challenge: the inherently multi-faceted nature of prompt performance, which cannot be captured by a single metric. To fill this gap, we study the multi-objective prompt selection problem under two practical settings: Pareto prompt set recovery and best feasible prompt identification. Casting the problem into the pure-exploration bandits framework, we adapt provably efficient algorithms from multi-objective bandits and further introduce a novel design for best feasible arm identification in structured bandits, with theoretical guarantees on the identification error in the linear case. Extensive experiments across multiple LLMs show that the bandit-based approaches yield significant improvements over baselines, establishing a principled and efficient framework for multi-objective prompt optimization.
Authors: Langzhou He, Junyou Zhu, Yue Zhou, Zhengyao Gu, Junhua Liu, Wei-Chieh Huang, Henry Peng Zou, David Wipf, Philip S. Yu, Qitian Wu
Abstract: Agentic reinforcement learning trains large language models using multi-turn trajectories that interleave long reasoning traces with short environment-facing actions. Common policy-gradient methods, such as PPO and GRPO, treat each token in a trajectory equally, leading to uniform credit assignment. In this paper, we critically demonstrate that such uniform credit assignment largely misallocates token-level training signals. From an energy-based modeling perspective, we show that token-level training signals, quantified by their correlations with reward variance of different rollouts sampled from a given prompt, concentrate sharply on action tokens rather than reasoning tokens, even though action tokens account for only a small fraction of the trajectory. We refer to this phenomenon as the Action Bottleneck. Motivated by this observation, we propose an embarrassingly simple token reweighting approach, ActFocus, that downweights gradients on reasoning tokens, along with an additional energy-based redistribution mechanism that further increases the weights on action tokens with higher uncertainty. Across four environments and different model sizes, ActFocus consistently outperforms PPO and GRPO, yielding final-step gains of up to 65.2 and 63.7 percentage points, respectively, without any additional runtime or memory cost.
Authors: Ron Wettenstein, Alexander Nadel, Udi Boker
Abstract: Partial Dependence Plots (PDPs) visualize how changes in a single feature affect the average model prediction. They are widely used in practice to interpret decision tree ensembles and other machine learning models. Joint-PDPs extend this idea to pairs of features, revealing their combined effect. Partial Dependence Interaction Values (PDIVs) measure feature interactions. The Any-Order-PDIVs task computes these interactions for every feature subset across all rows of the dataset. We introduce Woodelf++, a unified and efficient approach for computing all these useful explainability tools on decision tree ensembles, building on Woodelf, an algorithm for efficient SHAP computation. By deriving suitable metrics over pseudo-Boolean functions, Woodelf++ can compute PDPs (exact and approximate), Joint-PDPs, and Any-Order-PDIVs in a unified framework. Our method delivers substantial complexity improvements over the state of the art, including an exponential gain for Any-Order-PDIVs. Additionally, we introduce and efficiently compute Full PDPs, which leverage the model's split thresholds to faithfully capture its behavior across all possible feature values. Woodelf++ is implemented in pure Python and supports GPU acceleration. On a dataset with 400,000 rows, Woodelf++ computes PDP and Joint-PDP up to 6x faster than the state of the art and up to five orders of magnitude faster than scikit-learn. For Any-Order-PDIVs, the gap is even larger: Woodelf++ computes all interaction values in 5 minutes, while the state of the art is estimated to require over 1,000,000 years.
Authors: Oubo Ma, Ruixiao Lin, Yang Dai, Jiahao Chen, Chunyi Zhou, Linkang Du, Shouling Ji
Abstract: Extensive research has highlighted the severe threats posed by backdoor attacks to deep reinforcement learning (DRL). However, prior studies primarily focus on vanilla scenarios, while plasticity interventions have emerged as indispensable built-in components of modern DRL agents. Despite their effectiveness in mitigating plasticity loss, the impact of these interventions on DRL backdoor vulnerabilities remains underexplored, and this lack of systematic investigation poses risks in practical DRL deployments. To bridge this gap, we empirically study 14,664 cases integrating representative interventions and attack scenarios. We find that only one intervention (i.e., SAM) exacerbates backdoor threats, while other interventions mitigate them. Pathological analysis identifies that the exacerbation is attributed to backdoor gradient amplification, while the mitigation stems from activation pathway disruption and representation space compression. From these findings, we derive two novel insights: (1) a conceptual framework SCC for robust backdoor injection that deconstructs the mechanistic interplay between interventions and backdoors in DRL, and (2) abnormal loss landscape sharpness as a key indicator for DRL backdoor detection.
Authors: Zhipeng Zhang
Abstract: Recursive learning -- where models are trained on data generated by previous versions of themselves -- is increasingly common in large language models, autonomous agents, and self-supervised systems. However, standard performance metrics (loss, perplexity, accuracy) often fail to detect internal degradation before it becomes irreversible. Here we identify a phenomenon we call silent collapse: under broad recursive conditions, model internal distributions -- predictive entropy, representational diversity, and tail coverage -- progressively contract even as conventional metrics appear stable or improving. We discover that silent collapse is not abrupt. Its onset is reliably preceded by three trajectory-level precursors: (1) contraction of anchor entropy, (2) freezing of representation drift, and (3) erosion of tail coverage. These signals manifest multiple generations before any degradation in standard validation metrics, enabling early warning. Based on these precursors, we propose the MTR (Monitor--Trust--Regulator) framework, a lightweight metacognitive loop that monitors trajectory statistics, estimates a slow-timescale trust variable, and adaptively modulates the effective learning intensity. MTR provides early warning and actively prevents silent collapse without requiring access to pristine real data -- a critical advantage when original data is unavailable, contaminated, or private.
Authors: Andreas Schlaginhaufen, Maryam Kamgarpour
Abstract: We establish novel structural and statistical results for entropy-regularized min-max inverse reinforcement learning (Min-Max-IRL) with linear reward classes in finite-horizon MDPs with Borel state and action spaces. On the structural side, we show that maximum likelihood estimation (MLE) and Min-Max-IRL are equivalent at the population level, and at the empirical level under deterministic dynamics. On the statistical side, exploiting pseudo-self-concordance of the Min-Max-IRL loss, we prove that both the trajectory-level KL divergence and the squared parameter error in the Hessian norm decay at the fast rate $\mathcal{O}(n^{-1})$, where $n$ is the number of expert trajectories. Our guarantees apply under misspecification and require no exploration assumptions. We further extend reward-identifiability results to general Borel spaces and derive novel results on the derivatives of the soft-optimal value function with respect to reward parameters.
Authors: Sohaib Afifi
Abstract: A common critique of neural combinatorial-optimization solvers is that they are less energy-efficient than CPU metaheuristics, given the operational energy cost of training them on GPUs. This paper examines the inferential step from "training is expensive" to "neural solvers are net-inefficient", which is where the critique actually goes wrong. Training the network costs a large fixed amount of GPU energy; running the metaheuristic costs a small amount of CPU energy on every instance, repeated as long as the solver is deployed. The two are not commensurable until a deployment volume is fixed. We define the Amortized Efficiency Threshold (AET) as the deployment volume above which a neural solver breaks even with a heuristic baseline in total energy or carbon, under an explicit constraint on solution quality. We show that the cumulative-energy ratio between the two solvers tends to a constant strictly below one whenever the network wins per-instance, and that this limit does not depend on how the training cost was measured. An embodied-carbon term amortizes hardware fabrication symmetrically on both sides. We instantiate the framework on the Multi-Task VRP (MTVRP) environment at n=20 customers across 19 problem variants and five training seeds, with HGS via PyVRP as the heuristic baseline. The measured crossover sits near $1.58 \times 10^5$ deployed instances; the per-instance ratio is 0.41, reflecting the moderate size of the instances tested. The contribution is the framework, the open instrumentation, and the measurement protocol; structural convergence of the ratio at larger problem sizes is left to future empirical work.
Authors: Eshwar R. A., Debnath Pal
Abstract: We introduce Action-Inspired Generative Models (AGMs), a dual-network generative framework motivated by the observation that existing bridge-matching methods assign uniform regression weight to every stochastic transition in the transport landscape, regardless of whether a given bridge sample lies along a structurally coherent trajectory or a degenerate one. We address this by introducing a lightweight learned scalar potential $V_\phi$ that scores bridge samples online and modulates the drift objective via importance weights derived through a stop-gradient barrier -- preventing adversarial feedback between the two networks whilst preserving $V_\phi$'s guiding signal. Crucially, $V_\phi$ comprises only $\sim$1.4% of the primary drift network's parameter count, adds no overhead to the inference graph, and requires no iterative half-bridge fitting or auxiliary stochastic differential equation (SDE) solvers: it is a plug-and-play enhancement to any bridge-matching training loop. At inference, $V_\phi$ is discarded entirely, leaving standard Euler-Maruyama integration of the exponential moving average (EMA) drift. We demonstrate that selectively penalising uninformative transport paths through the learned potential yields consistent improvements in generation quality across fidelity and coverage metrics.
Authors: Manrui Jiang, Jingru Huang, Yong Chen, Chen Zhang
Abstract: Forecasting multivariate hidden Markov processes is challenging due to nonlinear and nonstationary observations, latent state transitions, and cross-sequence dependencies. While deep learning methods achieve strong predictive accuracy, they typically lack explicit state modeling, whereas Hidden Markov Models (HMMs) provide interpretable latent states but struggle with complex nonlinear emissions and scalability. To address these limitations, we propose DRL-STAF, a Deep Reinforcement Learning based STate-Aware Forecasting framework that jointly predicts next-step observations and estimates the corresponding hidden states for complex multivariate hidden Markov processes. Specifically, DRL-STAF models complex nonlinear emissions using deep neural networks and estimates discrete hidden states using reinforcement learning, reducing the reliance on predefined transition structures and enabling flexible adaptation to diverse temporal dynamics. In particular, DRL-STAF mitigates the state-space explosion encountered by typical multivariate HMM-based methods. Extensive experiments demonstrate that DRL-STAF outperforms HMM variants, standalone deep learning models, and existing DL-HMM hybrids in most cases, while also providing reliable hidden-state estimates.
Authors: Jaemin Seo, Surin Lee, Jae Yong Lee
Abstract: Deep learning methods based on backward stochastic differential equations (BSDEs) have emerged as competitive alternatives to physics-informed neural networks (PINNs) for solving high-dimensional partial differential equations (PDEs). By leveraging probabilistic representations, BSDE approaches can avoid the curse of dimensionality and often admit second-order-free training objectives that do not require explicit Hessian evaluations. It has recently been established that the commonly used Euler-Maruyama (EM) time discretization induces an intrinsic bias in BSDE training losses. While high-order schemes such as Heun can fully eliminate this bias, such schemes re-introduce second-order spatial derivatives and incur substantial computational overhead. In this work, we provide a principled analysis of EM-induced loss bias and propose an unbiased, second-order-free training framework that preserves the computational advantages of BSDE methods. Our code is available at https://github.com/seojaemin22/Un-EM-BSDE.
Authors: Shin So, Kyelim Lee, Albert No
Abstract: Critical-data-size accounts of grokking suggest a natural post-threshold intuition: once training data is sufficient to identify the underlying rule, additional data should accelerate validation convergence. We show that this intuition can fail in a controlled structured-output task. In Needleman--Wunsch (NW) matrix generation, small Transformers reach high validation exact-match accuracy fastest at an intermediate dataset size, not at the largest one. Past this dataset-size sweet spot, generalization remains achievable but requires more gradient updates. Conversely, in the regime where partial validation competence first appears, larger datasets can require fewer updates to reach high training accuracy, suggesting that emerging rule structure can accelerate fitting beyond example-wise memorization. A multiplication baseline does not show the same post-threshold slowdown. These results separate the critical data size for the onset of generalization from the dataset size that optimizes update-based convergence, and identify structured-output tasks where learning the rule and completing exact-fitting can diverge.
Authors: Jian Xu, Chao Li, Delu Zeng, John Paisley, Qibin Zhao
Abstract: Estimating an $N \times N$ quantum kernel from circuit fidelities requires $\Theta(N^2 S)$ measurement shots, the dominant bottleneck for deployment on near-term hardware. Existing budget-saving methods (Nystr\"om-QKE, ShoFaR, kernel-target alignment) sub-sample \emph{which} entries to measure but allocate shots \emph{uniformly} within their chosen subset, ignoring how much each entry drives the downstream classifier. We close this gap with two contributions. \textbf{First, a complete regime decomposition} for shot-budgeted quantum kernel learning: a principled menu of when each allocator wins. Our method, \emph{AQKA}, dominates the budget-limited regime ($B \lesssim 16 n_{\mathrm{pairs}}$) on sparse-sensitivity KRR, with the gap \emph{growing} from $+8$ to $+25$ pts over uniform as $N$ scales $225{\to}1000$ and reaching $+26$--$32$ pts on an \texttt{ibm\_pittsburgh} (156-qubit Heron) hardware kernel; Nystr\"om-QKE wins at saturating budgets on planted-sparse via low-rank reconstruction; ShoFaR is competitive only at extreme low budgets. \textbf{Second, a closed-form pair-level acquisition theory}: $s_{ij}^{\star} \propto |g_{ij}|\sqrt{K_{ij}(1-K_{ij})}$ with explicit gradient $g_{ij}$ for KRR (Lemma~1, $|\beta_i\alpha_j+\beta_j\alpha_i|\sqrt{K_{ij}(1-K_{ij})}$) and SVM via the envelope theorem ($|\eta_i^*\eta_j^*|\sqrt{K_{ij}(1-K_{ij})}$); a \emph{corrected} sparsity-aware Cauchy--Schwarz rate $\rho \le 2m/N$ matching empirics (vs.\ the naive $m^2/N^2$); an explicit-constant plug-in regret bound (Theorem~2); and a tighter SVM ceiling $\rho^{\mathrm{SVM}} \le m_{\mathrm{sv}}^2/N^2$. We close with the first multi-seed live online adaptive shot allocation on quantum hardware: $+17.0 \pm 4.8$ pts at $N{=}20$ on \texttt{ibm\_aachen} ($3.5\sigma$, 5 seeds), with the advantage holding at $N{=}30$ at higher budget on \texttt{ibm\_berlin} ($+14.0 \pm 8.5$ pts, 5 seeds).
Authors: Nabil Iqbal, T. Anderson Keller, Yue Song, Takeru Miyato, Max Welling
Abstract: In physical systems, whenever a continuous symmetry is spontaneously broken, the system possesses excitations called Goldstone modes, which allow coherent information propagation over long distances and times. In this work, we study deep neural networks whose internal layers are equivariant under a continuous symmetry and may therefore support analogous Goldstone-like degrees of freedom. We demonstrate, both analytically and empirically, that these degrees of freedom enable coherent signal propagation across depth and recurrent iterations, providing a mechanism for stable information flow without relying on architectural stabilizers such as residual connections or normalization. In feedforward networks, this results in improved trainability and representational diversity across layers. In recurrent settings, we demonstrate the same mechanism is valuable for long-term memory by propagating information over recurrent iterations, thereby improving performance of RNNs and GRUs on long-sequence modeling tasks.
Authors: Davide Scassola, Andrea Coser, Sebastiano Saccani
Abstract: Tabular data sharing under privacy constraints is increasingly important for research and collaboration. Synthetic data generators (SDGs) are a promising solution, but synthetic data remains vulnerable to attacks, such as membership inference attacks (MIAs), which aim to determine whether a specific record was part of the training data. State-of-the-art MIAs are powerful but impractical: they rely on shadow modeling, requiring hundreds of SDG training runs, and need auxiliary data several times larger than the original training set. Fast proxy metrics like distance to closest record (DCR) are efficient but have limited sensitivity to MIA risk. We introduce ReMIA (Relative Membership Inference Attack), a practical privacy metric that requires only two SDG training runs and additional data no larger than the original training set. Rather than predicting whether a record was in the training set, ReMIA generates two synthetic datasets from two source datasets and measures whether a classifier can identify which source a record came from. Experiments across multiple tabular datasets and SDGs show that ReMIA has a sensitivity comparable to state-of-the-art MIAs while being substantially more practical. We further observe that SDGs can achieve privacy-utility trade-offs that traditional noise-based anonymization methods do not match. Code is available at https://github.com/aindo-com/remia.
Authors: Tommaso Mencattini, Francesco Montagna, Francesco Locatello
Abstract: Sparse Autoencoders (SAEs) that can accurately reconstruct their input (minimizing distortion) by making efficient use of few features (minimizing the rate) often fail to learn monosemantic representations (highly interpretable), limiting their usefulness for mechanistic interpretability. In this paper, we characterise this tension in learning faithful, efficient, and interpretable explanations, introducing the Rate-Distortion-Polysemanticity tradeoff in SAEs. Under toy-modeling assumptions, we theoretically and empirically show that restricting the SAE to be monosemantic necessarily comes with an increase in rate and distortion. Assuming a generative model behind the input observations, we further demonstrate that the degree of polysemanticity of optimal SAEs is determined by the training data distribution, especially by the probability of features to co-occur. Finally, we extend the analysis to real-world settings by deriving necessary conditions that a polysemanticity measure should satisfy when the data-generating process is unknown, and we benchmark existing proxy metrics on SAEs trained on Large Language Models. Taken together, our findings show that polysemanticity is a data problem that should be accounted for when addressing it at the architectural and optimization level.
Authors: Konstantinos Kontras, Trui Osselaer, Stylianos G. Mouslech, Angeliki-Ilektra Karaiskou, Guido Gagliardi, Thomas Strypsteen, Mohammad Hossein Badiei, Anku Rani, Maarten Vanmarcke, Miguel Bhagubai, Chanakya Ekbote, Jaedong Hwang, Christos Chatzichristos, Paul Pu Liang, Maarten De Vos
Abstract: Foundation models (FMs) promise to extract unified representations that generalize across downstream tasks. They have emerged across fields, including electroencephalography (EEG), but it is less clear how effective they are in this particular field. Published evaluations differ in datasets, in the EEG-specific preprocessing that might influence reported results, and in the reported metrics, frequently obscuring the clinical relevance in EEG. We introduce NeuroAtlas, the largest EEG benchmark to date: 42 datasets and 260k hours covering clinical EEG (epilepsy, sleep medicine, brain age estimation) and brain-computer interfaces, and include multiple datasets per task along with bespoke clinical evaluation metrics. Besides evaluating EEG-FMs with respect to supervised baselines, we present results from generic time-series FMs. We report three findings. First, EEG-specific FMs do not consistently outperform time-series FMs, which have neither EEG-focused architectures nor been pretrained on EEG. Second, standard machine learning metrics are insufficient to assess clinical utility: thus, we thoroughly evaluate more appropriate measures such as the quality of event-level decision-making, hypnogram-derived features, and the brain-age gap in the domains of epilepsy, sleep, and brain age, respectively. Third, model rankings and performance can vary substantially within domains. We conclude that pretrained models perform largely on par, with only narrow advantages for a few, and that current models do not yet deliver on the promise of an out-of-the-box unified EEG model. NeuroAtlas exposes this gap and provides the datasets and metrics for the next generation of unified EEG FMs.
Authors: Krish Sharma, Omar Naim, Soumadeep Saha, Nicholas Asher
Abstract: Recent work has promoted task-aware layer pruning as a way to improve model performance on particular tasks, as shown by TALE. In this paper, we investigate when such improvements occur and why. We show first that, across controlled polynomial regression tasks and large language models, such pruning yields no benefit on in-distribution (ID) data but consistently improves out-of-distribution (OOD) accuracy. We further show empirically that OOD inputs induce layerwise norm and pairwise-distance profiles that deviate from the corresponding ID profiles. This leads to a geometric explanation of task-aware pruning: each task induces a task-adapted geometry, characterized empirically by the representation profiles observed on ID inputs. OOD inputs can introduce a distorted version of the task-adapted geometry. Task-aware pruning identifies layers that create or amplify this distortion; by removing them, it shifts OOD representational norms and pairwise distances toward those observed on the adapted distribution. This realigns OOD inputs with the model's task-adapted geometry and improves performance. We provide causal evidence through controlled distribution shifts and residual-scaling interventions, and demonstrate consistent behavior across model scales.
Authors: Bat-Sheva Einbinder, Hen Davidov, Yee Whye Teh, Yarin Gal, Yaniv Romano
Abstract: While large language models (LLMs) are trained to align with human values, their generations may still violate safety constraints. A growing line of work addresses this problem by modifying the model's sampling policy at decoding time using a safety reward. However, existing decoding-time steering methods often intervene unnecessarily, modifying generations that would have been safe under the base model. Such unnecessary interventions are undesirable, as they can distort key properties of the base model such as helpfulness, fluency, style, and coherence. We propose a new test-time steering method designed to reduce such unnecessary interventions while improving the safety of unsafe responses. Our approach filters tokens using a value-based safety criterion and provides an explicit bound on the probability of false interventions. A single threshold hyperparameter controls this bound, allowing practitioners to trade off higher rates of unnecessary intervention for better output safety. Across multiple datasets and experiments, we show that our value-filtered decoding method outperforms existing baselines, achieving better trade-offs between safety, helpfulness, and similarity to the base model.
Authors: Qirui Liu, Hao Chen, Weijie Shi, Jiajie Xu, Jia Zhu
Abstract: Accurately identifying student misconceptions is crucial for personalized education but faces three challenges: (1) data scarcity with long-tail distribution, where authentic student reasoning is difficult to synthesize; (2) fuzzy boundaries between error categories with high annotation noise; (3) deployment parado-large models overlook unconventional approaches due to pretraining bias and cannot be deployed on edge, while small models overfit to noise. Unlike traditional methods that increase diversity through large-scale data synthesis, we propose a two-stage knowledge distillation framework that mines high-value samples from existing data. The first stage performs standard distillation to transfer task capabilities. The second stage introduces a dual-layer marginal selection mechanism based on cognitive uncertainty, identifying four types of critical samples based on teacher model uncertainty and confidence differences. For different data subsets, we design difficulty-adaptive mechanism to balance hard/soft label contributions, enabling student models to inherit inter-class relationships from teacher soft labels while distinguishing ambiguous error types. Experiments show that with augmented training on only 10.30% of filtered samples, we achieve MAP@3 of 0.9585 (+17.8%) on the MAP-Charting dataset, and using only a 4B parameter model, we attain 84.38% accuracy on cross-topic tests of middle school algebra misconception benchmarks, significantly outperforming sota LLM (67.73%) and standard fine-tuned 72B models (81.25%). Our code is available at https://github.com/RoschildRui/acl2026_map.
Authors: Nian Liu, Nikita Kazeev, Stephen Gregory Dale, Artem Maevskiy, Yuwei Zeng, Ryoji Kubo, Pengru Huang, Thomas Laurent, Yann LeCun, Kostya S. Novoselov, Xavier Bresson
Abstract: De novo crystal generation seeks to discover materials that are not merely realistic, but also stable and novel. However, most existing generative models are trained to maximize the likelihood of observed crystals, which encourages samples to stay close to known materials yet not necessarily align with the criteria that matter in discovery. Through an empirical investigation, we show that current crystal generative models are caught in a pronounced stability--novelty trade-off: moving toward the observed distribution preserves stability but limits novelty, whereas moving away from it quickly destroys stability. This suggests that the useful region for discovering crystals that are both stable and novel is extremely narrow. To escape the trade-off, we introduce Crys-JEPA, a joint embedding predictive architecture for crystals that learns an energy-aware latent space preserving formation-energy differences. In this space, stability assessment can be reformulated as an embedding-based comparison against accessible training crystals, reducing the reliance on expensive energy evaluation and task-specific external references. Building on Crys-JEPA, we further develop a screening-and-refinement pipeline that identifies promising generated crystals and reintroduces them to refine the generative model. On MP-20 and Alex-MP-20 datasets, we achieve improvements over baselines up to 81.4% and 82.6% on V.S.U.N metric, respectively.
Authors: Hongyu Lin, Antonio Briola, Yuanrong Wang, Tomaso Aste
Abstract: Identifying the structural priors that enable Deep Neural Networks (DNNs) to overcome the curse of dimensionality is a fundamental challenge in machine learning theory. Existing literature suggests that effective high-dimensional learning is driven by compositional sparsity, where target functions decompose into constituents supported on low-dimensional variable subsets. To investigate this hypothesis, we combine Information Filtering Networks (IFNs), which extract sparse dependency structures via constrained information maximisation, with Homological Neural Networks (HNNs), which map the inferred topology into fixed-wiring sparse neural graphs. We formalise the design principles underlying this construction and present an interpretable pipeline in which abstraction emerges through hierarchical composition. HNNs are orders of magnitude sparser than standard DNNs and require only minimal hyperparameter tuning. On synthetic tasks with known sparse hierarchies, HNNs recover the underlying compositional structure and remain stable in regimes where dense alternatives degrade as dimensionality increases. Across a broad suite of real-world datasets, HNNs consistently match or outperform dense baselines while using far fewer parameters, exhibiting lower variance and showing reduced sensitivity to hyperparameters.
Authors: Nian Liu, Yuwei Zeng, Ryoji Kubo, Nikita Kazeev, Stephen Gregory Dale, Artem Maevskiy, Pengru Huang, Thomas Laurent, Kostya S. Novoselov, Xavier Bresson
Abstract: De novo crystal generation, a central task in materials discovery, aims to generate crystals that are simultaneously valid, stable, unique, and novel. Existing methods mainly rely on black-box stochastic sampling, providing limited control over how generated structures move beyond the observed distribution. In this paper, we introduce a concept-based compositional framework for crystal generation. We train a vector-quantized variational autoencoder to automatically discover a shared set of reusable crystal concepts, which serve as building blocks for guided generation. These learned concepts naturally exhibit interpretability from both local atomic environments and global symmetry patterns, and generalize to crystals from different distributions. By recombining such concepts, our framework enables controllable exploration of novel crystals beyond the training distribution, rather than relying solely on unconstrained random sampling. To further improve composition efficiency, we introduce a composition generator and iteratively refine it using high-quality samples generated by the model itself. The resulting concept compositions are then used to condition downstream crystal generation. Numerical experiments on MP-20 and Alex-MP-20 show that compositing concepts separately increase base model up to 53.2% and 51.7% on V.S.U.N metric, with particular gains in novelty.
Authors: Suorong Yang, Hanqi Zhu, Hai Gan, Fangjian Su, Guang Li, Furao Shen, Soujanya Poria
Abstract: Data selection accelerates training by identifying representative training data while preserving model performance. However, existing methods mainly focus on designing sample-importance criteria, i.e., deciding what to select, while typically fixing the selected data volume as the target ratio throughout training. Thus, they are often dynamic in sample identity but static in data volume. In this work, we revisit data selection from an optimization perspective and show that selected-data training induces an implicit regularization effect modulated by the instantaneous selection ratio. This reveals a key trade-off: lower ratios amplify selection-induced regularization, whereas higher ratios preserve data coverage and optimization fidelity. Motivated by this insight, we propose PODS, a Plug-and-play Oscillatory Data-volume Scheduling framework. Rather than introducing another sample-scoring metric, PODS serves as a lightweight module that dynamically schedules how much data to select over training. Under the target selection ratio, PODS alternates between low-ratio regularization phases and high-ratio recovery phases to exploit selection-induced regularization without sacrificing optimization stability. With its lightweight, ratio-level, and task-agnostic design, PODS is compatible with existing static and dynamic selection methods and broadly applicable across training paradigms. Experiments across various datasets, architectures, and tasks show that PODS consistently improves the efficiency-generalization trade-off, e.g., reducing ImageNet-1k training cost by 50% with improved accuracy and accelerating LLM instruction tuning by over 2x without performance degradation.
Authors: Byeongchan Kim, Min-hwan Oh
Abstract: We propose a model-free offline multi-step reinforcement learning (RL) algorithm, Conservative Peng's Q($\lambda$) (CPQL). Our algorithm adapts the Peng's Q($\lambda$) (PQL) operator for conservative value estimation as an alternative to the Bellman operator. To the best of our knowledge, this is the first work in offline RL to theoretically and empirically demonstrate the effectiveness of conservative value estimation with a \textit{multi-step} operator by fully leveraging offline trajectories. The fixed point of the PQL operator in offline RL lies closer to the value function of the behavior policy, thereby naturally inducing implicit behavior regularization. CPQL simultaneously mitigates over-pessimistic value estimation, achieves performance greater than (or equal to) that of the behavior policy, and provides near-optimal performance guarantees -- a milestone that previous conservative approaches could not achieve. Extensive numerical experiments on the D4RL benchmark demonstrate that CPQL consistently and significantly outperforms existing offline single-step baselines. In addition to the contributions of CPQL in offline RL, our proposed method also contributes to the offline-to-online learning framework. Using the Q-function pre-trained by CPQL in offline settings enables the online PQL agent to avoid the performance drop typically observed at the start of fine-tuning and to attain robust performance improvements. Our code is available at https://github.com/oh-lab/CPQL.
Authors: Alberto Tamajo, Srinandan Dasmahapatra, Rahman Attar
Abstract: Neural networks suffer from catastrophic forgetting in class-incremental learning (CIL) settings. Rehearsal$\unicode{x2013}$replaying a subset of past samples$\unicode{x2013}$is a well-established mitigation strategy. However, recent results suggest that, despite balanced rehearsal allocation, some classes are forgotten substantially more than others. Despite its relevance, this imbalanced forgetting phenomenon remains underexplored. This work shows that imbalanced forgetting arises systematically and severely in rehearsal-based CIL and investigates it extensively. Specifically, we construct, from a principled analysis, three last-layer coefficients that capture different gradient-level sources of interference affecting each past class during an incremental step. We then demonstrate that, together, they reliably predict how past classes will rank in terms of forgetting at the end of that step. While predictive performance alone does not establish causality, these results support the interpretation of the coefficients as a plausible mechanistic account linking last-layer gradient-level interactions during training to class-level forgetting outcomes. Notably, one coefficient$\unicode{x2013}$capturing self-induced interference$\unicode{x2013}$emerges as the strongest predictor, with controlled experiments providing evidence consistent with this coefficient being influenced by the new-class interference coefficient. Overall, our findings provide valuable insights and suggest promising directions for mitigating imbalanced forgetting by reducing class-wise disparities in the identified sources of interference.
Authors: Yan Jiang, Ruihong Qiu, Zi Huang
Abstract: Graph prompt tuning has shown great potential in graph learning by introducing trainable prompts to enhance the model performance in conventional single-domain scenarios. Recent research has extended graph prompts to improve Graph Foundation Models (GFMs) by few-shot tuning auxiliary prompts. Despite their progress, most existing methods embed source-domain information into prompts, which serve either as input to GFMs or encoded during model pre-training. Such prompt entanglement with specific source domains and GFM pre-training strategy restricts their generalisability to other domains and different GFMs. Furthermore, existing GFM prompts merely rely on few-shot tuning for adaptation, neglecting the rich information in unlabelled target domain test data. Motivated by these insights, this paper aims to empower GFMs with pre-training-agnostic test-time graph prompt tuning, named GFMate. GFMate introduces centroid and layer prompts applied after pre-training on target domains, avoiding entanglement with specific source domains and model pre-training. In addition, a test-time complementary learning objective is devised to exploit both labelled and unlabelled target domain data for effective test-time prompt tuning. Extensive experiments on 12 benchmark datasets demonstrate the superior performance and efficiency of GFMate, achieving improvements of up to 30.63%. Code is available at https://github.com/YanJiangJerry/GFMate.
Authors: Ludo Andrianirina, Mathieu Carri\`ere
Abstract: Topological clustering, and its main algorithm ToMATo, is a clustering method from Topological Data Analysis (TDA) which has been applied successfully in several applications during the last few years. This is due to its high versatility, as clusters are detected from the persistent components in the sublevel sets of any user-defined function (gene expression, pixel values, etc), and efficiency, as topological clustering enjoys robustness guarantees. However, ToMATo is also limited in several ways. First, a graph on the data points needs to be provided as a hyper-parameter of the method (whose fine-tuning is left to the user). Second, ToMATo is known to be very sensitive to outlier values in the function range. Finally, and most importantly, ToMATo can only handle one function at a time, whereas it is critical to use several functions in various applications. In this article, we introduce ToMAToMP: the first topological clustering method able to handle several functions at the same time with theoretical guarantees. More specifically, we leverage a recent tool from multi-parameter persistent homology, called MMA decomposition, to design our clustering algorithm, and prove that it enjoys robustness properties. As corollaries, we show that it can be used to make ToMATo independent of graph tuning, and robust to outliers. Finally, we provide a set of numerical experiments showcasing the efficiency and quality of the clusterings produced by ToMAToMP, by showing strong improvement over non-topological and topological baselines for various datasets.
Authors: Thorben Wegner, Lucas Heublein, Tobias Feigl, Felix Ott, Christopher Mutschler, Alexander R\"ugamer
Abstract: Traditional methods for classifying global navigation satellite system (GNSS) jamming signals typically involve post-processing raw or spectral data streams, requiring complex and costly data transmission to cloud-based interference classification systems. In contrast, our proposed approach efficiently compresses GNSS data streams directly at the hardware receiver while simultaneously classifying jamming and spoofing attacks in real time. Given the growing prevalence of GNSS jamming, there is a critical need for real-time solutions suitable for power-constrained environments. This paper introduces a novel method for compressing and classifying GNSS jamming threats using generative artificial intelligence (GenAI), specifically variational autoencoders (VAEs), deployed on Google Edge tensor processing units (TPUs). The study evaluates various autoencoder (AE) architectures to compress and reconstruct GNSS signals, focusing on preserving interference characteristics while minimizing data size near the receiver hardware. The pipeline adapts large-scale AE models for Google Edge TPUs through 8-bit quantization to ensure energy-efficient deployment. Tests on raw in-phase and quadrature-phase (IQ) data, Fast Fourier Transform (FFT) data, and handcrafted features show the system achieves significant compression (>42x) and accurate classification of approximately 72 interference types on reconstructed signals (F2-score 0.915), closely matching the original signals (F2-score 0.923). The hardware-centric GenAI approach also substantially reduces jammer signal transmission costs, offering a practical solution for interference mitigation. Ablation studies on conditional and factorized VAEs (i.e., FactorVAE) explore latent feature disentanglement for data generation, enhancing model interpretability and fostering trust in machine learning (ML) solutions for sensitive interference applications.
Authors: Sohom Mukherjee, Anh-Duy Pham, Richard Pibernik, Yunbei Xu
Abstract: We study inventory control with decision-dependent censoring, focusing on the censored or repeated newsvendor (R-NV), where each order quantity determines whether demand is fully observed or censored by sales. Existing approaches based on parametric Thompson sampling (TS) can be brittle under prior mismatch, while offline imputation methods need not transfer to online learning. Motivated by the predictive view of decision making, we combine these ideas by taking oracle actions on learned completions of latent demand. We propose in-context generative posterior sampling (ICGPS), which uses modern generative models that are meta-trained offline and deployed online by in-context autoregressive generation. Theoretically, we show that the Bayesian regret of ICGPS with a learned completion kernel is bounded by the Bayesian regret of a TS benchmark with the ideal completion kernel plus a deployment penalty scaling as $\sqrt{T}$ times the square root of the completion mismatch. This yields a plug-in template for operational problems with known TS regret bounds. For R-NV, we derive sublinear Bayesian regret by reducing censored feedback to bandit convex optimization feedback. We also show that, under reasonable coverage and stability assumptions, the online completion mismatch is controlled by the offline censored predictive mismatch, so offline predictive quality transfers to online performance. Practically, we instantiate ICGPS with ChronosFlow, which combines a frozen time-series transformer backbone with a trainable conditional normalizing-flow head for fast censoring-consistent sampling. In benchmark experiments, ChronosFlow-ICGPS matches correctly specified TS, outperforms myopic and UCB-style baselines, and is robust to prior mismatch and distribution shift. ChronosFlow-ICGPS also performs well for the real-world SuperStore dataset, especially under heavy censoring.
Authors: Paolo Mandica, Micha{\l} Brzozowski, Zuzanna Dubanowska, Neo Christopher Chung
Abstract: Low-rank adaptation (LoRA) has become the dominant paradigm for parameter-efficient fine-tuning (PEFT) of large language models (LLMs). However, its bilinear structure introduces a critical limitation: the mapping from trainable parameters to weight updates is not distance-preserving, distorting the optimization landscape. Methods that project a low-dimensional vector into LoRA's parameter space, such as Uni-LoRA, improve parameter efficiency, but the subsequent bilinear LoRA map breaks end-to-end isometry, leaving the core distance-preservation problem unresolved. We propose GPart (Global Partition fine-tuning), a highly parameter-efficient fine-tuning method which removes the low-rank bottleneck entirely. Our method uses a single isometric partition matrix to map a $d$-dimensional trainable vector directly into the full weight space of the model. The result is an extremely minimal fine-tuning pipeline: one random projection, end-to-end isometric, with a single clean hyperparameter ($d$) and storage cost of $d+1$ values (the trainable vector plus a random seed). GPart builds on the theoretical premise that effective fine-tuning can emerge from random low-dimensional subspaces of the full weight space, without imposing low-rank matrix structure. We empirically demonstrate the superior or comparable performance of GPart to existing PEFT methods on natural language understanding, computer vision tasks, and mathematical reasoning. Overall, GPart achieves state-of-the-art efficiency and performance by removing structural constraints, offering a straightforward and elegant path to PEFT.
Authors: Thomas Witt
Abstract: We introduce XFP, a dynamic weight quantizer for LLM inference that inverts the conventional workflow: the operator specifies reconstruction quality floors on per-channel cosine similarity (one strict floor for attention and shared experts, one lazy floor for routed-expert MoE); XFP determines codebook size, outlier budget, and packing per layer automatically -- no Hessian, no calibration data, no manual bit-width selection. Each weight matrix is decomposed into a sparse fp16 outlier residual and a dense sub-byte index tensor into a per-group learned codebook. Two storage modes share one auto-select frontend and one fused decode kernel: V2 (per-channel Lloyd) and V2a (shared library of L=32 codebooks per layer). On Qwen3.5-122B-A10B under V2, XFP reaches 138 tok/s single-stream decode on workstation hardware (RTX PRO 6000 Blackwell, TP=2) at 94.49% GSM8K strict-match (3 seeds, n=3957), and is 49% faster than Marlin INT4 at TP=1. For models that do not fit in the target memory envelope, we present the H-Process: a quality-driven iteration over the two cosine thresholds that finds the operating point at which the model just fits while still producing sensible output. Three constraints define its search space: the operator-set thresholds, an OOM boundary at quantize-on-load, and a garbage boundary in generation (cosine similarity steers; benches verify). On Qwen3.5-397B-A17B (512 routed experts/layer), the H-Process fits the full expert population into 2x96 GB at ~3.4 effective bits and delivers 100.9 tok/s long-output decode at 66.72% GSM8K strict-match on the full 1319-problem set (single seed at submission; multi-seed evaluation in progress), exceeding INT4 with routed-expert pruning on memory, throughput, and accuracy simultaneously.
Authors: Lukas Schelenz, Shobha Rajanna, Denis Gosalci, Lucas Heublein, Jonas Pirkl, Jonathan Ott, Felix Ott, Christopher Mutschler, Tobias Feigl
Abstract: Forecasting within signal processing pipelines is crucial for mitigating delays, particularly in predicting the dynamic movements of objects such as NBA players. This task poses significant challenges due to the inherently interactive and unpredictable nature of sports, where abrupt changes in velocity and direction are prevalent. Traditional approaches, including (S)ARIMA(X), Kalman filters (KF), and Particle filters (PF), often struggle to model the non-linear dynamics present in such scenarios. Machine learning (ML) methods, such as long short-term memory (LSTM) networks, graph neural networks (GNNs), and Transformers, offer greater flexibility and accuracy but frequently fail to explicitly capture the interplay between temporal dependencies and contextual interactions, which are critical in chaotic sports environments. In this paper, we evaluate these models and assess their strengths and weaknesses. Experimental results reveal key performance trade-offs across input history length, generalizability, and the ability to incorporate contextual information. ML-based methods demonstrated substantial improvements over linear models across forecast horizons of up to 2s. Among the tested architectures, our hybrid LSTM augmented with contextual information achieved the lowest final displacement error (FDE) of 1.51m, outperforming temporal convolutional neural network (TCNN), graph attention network (GAT), and Transformers, while also requiring less data and training time compared to GAT and Transformers. Our findings indicate that no single architecture excels across all metrics, emphasizing the need for task-specific considerations in trajectory prediction for fast-paced, dynamic environments such as NBA gameplay.
Authors: Peicheng Wu, Zhenyu Bu, Runze Ma, Lin Du
Abstract: Spike activity has been the dominant neural signal for behavior decoding due to its high spatial and temporal resolution. However, as brain-computer interfaces (BCIs) move toward high channel counts and wireless operation, the high sampling frequency of spike signals becomes a bottleneck due to high power and bandwidth requirements. Local field potentials (LFPs) represent a different spatial-temporal scale of brain activity compared to spikes, offering key advantages including improved long-term stability, reduced energy consumption, and lower bandwidth requirement. Despite these benefits, LFP-based decoding models typically show reduced accuracy and often rely on non-causal architectures that are unsuitable for real-time deployment. To address these challenges, we propose REALM: a retrospective distillation framework that enables causal LFP decoding. Inspired by offline-to-online distillation strategies in speech recognition, REALM transfers representational knowledge from a pretrained multi-session bidirectional LFP model to a causal version for real-time deployment. We first pretrain a bidirectional Mamba-2 teacher model using a masked autoencoding objective. We then distill this teacher model into a compact student model via a combined objective of representation alignment and task supervision. REALM consistently outperforms both causal and non-causal LFP-based SOTA methods for behavior decoding. Notably, our REALM improves decoding performance while achieving a $2\times$ reduction in parameter count and a $10\times$ reduction in training time. These results demonstrate that retrospective distillation effectively bridges the gap between offline and real-time neural decoding. REALM shows that LFP-only models can achieve competitive decoding performance without reliance on spike signals, offering a practical and scalable alternative for next-generation wireless implantable BCIs.
Authors: Kamil Ciosek, Aleksandr V. Petrov, Nicol\`o Felicioni, Konstantina Palla
Abstract: Generating adversarial examples at scale is a core primitive for robustness evaluation, adversarial training, and red-teaming, yet even "fast" attacks such as FGSM remain throughput-limited by the cost of a backward pass. We introduce a family of attacks that eliminates the backward pass by predicting the input gradient from forward-pass hidden states via a lightweight linear regression. The approach is motivated by a kernel view of neural networks and is exact in the Neural Tangent Kernel regime, while remaining effective for practical finite-width models. Empirically, our methods recover much of FGSM's attack performance while using only a small fraction of the time, corresponding to a $532\%$ increase in throughput. These results suggest gradient prediction as a simple and general route to significantly faster adversarial generation under realistic wall-clock constraints.
Authors: Magdalena Proszewska, N. Siddharth
Abstract: Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations, and operate in the setting where multiple methods generate a suite of explanations for a single model. This makes comparison of explanations across models difficult. Evaluation of inherently interpretable models often targets a specific aspect of interpretability relevant to the model, but remains underdeveloped in terms of generating insight across a suite of measures. We introduce AIM, a comprehensive framework that addresses these limitations by measuring Accuracy, Instance-level explanations, and Model-level explanations. AIM is formulated with minimal constraints to enhance flexibility and facilitate broad applicability. Here, we use AIM in a pipeline, extracting explanations from inherently interpretable GNNs such as graph kernel networks (GKNs) and prototype networks (PNs), evaluating these explanations with AIM, identifying their limitations and obtaining insights to their characteristics. Taking GKNs as a case study, we show how the insights obtained from AIM can be used to develop an updated model, xGKN, that maintains high accuracy while demonstrating improved explainability. Our approach aims to advance the field of Explainable AI (XAI) for GNNs, providing more robust and practical solutions for understanding and improving complex models.
Authors: Senne Deproost, Denis Steckelmacher, Ann Now\'e
Abstract: Despite many successful attempts at explaining Deep Reinforcement Learning policies using distillation, it remains difficult to balance the performance-interpretability trade-off and select a fitting surrogate model. In addition to this, traditional distillation only minimizes the distance between the behavior of the original and the surrogate policy while other RL-specific components such as action value are disregarded. To solve this, we introduce a new model-agnostic method called Critic-Driven Voronoi State Partitioning, which partitions a black box control policy into regions where a simple class of model can be optimized using gradient descent. By exploiting the critic value network of the original policy, we iteratively introduce new subpolicies in regions with insufficient value, standing in for a measure of policy complexity. The partitioning, a Voronoi quantizer, uses nearest neighbor lookups to assign a linear function to each point in the state space resulting in a cell-like diagram. We validate our approach on several well known benchmarks and proof that this distillation approaches the original policy using a reasonable sized set of linear functions.
Authors: Ruizhe Liu, Jiaqi Luo
Abstract: Imbalanced learning remains a fundamental challenge in tabular data applications. Despite decades of research and numerous proposed algorithms, a systematic empirical understanding of how different imbalanced learning methods behave across diverse data characteristics is still lacking. In particular, it remains unclear how different method families compare in predictive performance, robustness under varying data characteristics, and computational scalability. In this work, we present Tabular Imbalanced Learning Benchmark (TILBench), a large-scale empirical benchmark for tabular imbalanced learning. TILBench evaluates more than 40 representative algorithms across 57 diverse tabular datasets, resulting in over 200000 controlled experiments across a wide range of data characteristics. Our findings show that no single method consistently dominates across all settings; instead, the effectiveness of imbalanced learning methods depends strongly on dataset characteristics and computational constraints. Based on these findings, we provide practical recommendations for selecting appropriate methods in real-world applications.
Authors: Leonardo Ferreira Guilhoto, Akshat Kaushal, Paris Perdikaris
Abstract: Active learning for continuous regression has lacked an acquisition function that targets epistemic uncertainty when the predictive distribution is multimodal: variance misses modal disagreement, and information-theoretic targets like BALD are designed for discrete outputs. We introduce a Two-Index framework that makes this separation explicit: one stochastic index selects among competing model hypotheses (epistemic source), while a second governs within-hypothesis randomness (aleatoric source). An entropy decomposition within the framework identifies the mutual information between the output and the epistemic index as a principled acquisition objective, and we prove this quantity vanishes as the model is trained on growing datasets, confirming that it captures exactly the uncertainty data can resolve. Because this mutual information is intractable for continuous outputs, we derive the Mutual Information Lower Bound (MI-LB) acquisition function, a closed-form approximation for Mixture Density Network ensembles. On benchmarks featuring multimodal systems, MI-LB matches or beats every baseline evaluated and is the only method to do so consistently -- geometric and Fisher-based baselines compete only when the input space already encodes the multimodality, and collapse otherwise.
Authors: Elisabetta Cornacchia, Laurent Massouli\'e
Abstract: The success of deep learning in high-dimensional settings is often attributed to the presence of low-dimensional structure in real-world data. While standard theoretical models typically assume that this structure lies in the target function, projecting unstructured inputs onto a low-dimensional subspace, data such as images, text or genomic sequences exhibit strong spatial correlations within the input space itself. In this paper, we propose a tractable model to study how these correlations affect the sample complexity of learning with gradient descent on shallow neural networks. Specifically, we consider targets that depend on a small number of latent Boolean variables, and input features grouped into clusters and correlated with the latent variables. Under an identifiability assumption, we show that for a layerwise gradient-descent variant, the sample complexity scales with the number of hidden variables and, when the signal-to-noise ratio is sufficiently high, is independent of the input dimension, up to logarithmic terms. We empirically test our theoretical findings on both synthetic and real data.
Authors: Earl Killian
Abstract: Scaled Outer Product (SOP) is a post-training quantization methodology for large language model weights, designed to deliver near-lossless fidelity at 4.5--6 bits per weight on hardware with per-layer LUT decode. The methodology combines per-layer search of fixed and dynamic codebook pairs selected by a per-block selection bit, signed per-block scales, activation-weighted cosine selection, and multiple-choice knapsack promotion of sensitive layers with outlier and sparse-residual correction. Fixed codebooks include NF4, BOF4, Split87, and SH4; per-layer optimized codebooks (DD4) are hosted in LUT SRAM. A new hardware-efficient LUT output format (HIF) is proposed to improve performance, energy, and cost. Across six open model families, the recommended FP6 operating point (E2M3sUE4M4, 6.5 bpw) achieves lower weight reconstruction error than the conventional per-layer-POT FP8 baseline (E4M3, 8.0 bpw) at 1.5 bpw lower storage cost, demonstrating that block-scaled small atoms with carefully chosen scale precision can replace conventionally-deployed FP8. Full evaluation across the 4.5--6 bpw range, including layer promotion and sparse residual correction, is reported in a companion paper.
Authors: Jonathan Spieler, Angel Villar-Corrales, Sven Behnke
Abstract: Predictive world models enable agents to model scene dynamics and reason about the consequences of their actions. Inspired by human perception, object-centric world models capture scene dynamics using object-level representations, which can be used for downstream applications such as action planning. However, most object-centric world models and reinforcement learning (RL) approaches learn reactive policies that are fixed at inference time, limiting generalization to novel situations. We propose Slot-MPC, an object-centric world modeling framework that enables planning through Model Predictive Control (MPC). Slot-MPC leverages vision encoders to learn slot-based representations, which encode individual objects in the scene, and uses these structured representations to learn an action-conditioned object-centric dynamics model. At inference time, the learned dynamics model enables action planning via MPC, allowing agents to adapt to previously unseen situations. Since the learned world model is differentiable, we can use gradient-based MPC to directly optimize actions, which is computationally more efficient than relying on gradient-free, sampling-based MPC methods. Experiments on simulated robotic manipulation tasks show that Slot-MPC improves both task performance and planning efficiency compared to non-object-centric world model baselines. In the considered offline setting with limited state-action coverage, we find that gradient-based MPC performs better than gradient-free, sampling-based MPC. Our results demonstrate that explicitly structured, object-centric representations provide a strong inductive bias for controllable and generalizable decision-making. Code and additional results are available at https://slot-mpc.github.io.
Authors: Yuehao Liu, Shanyan Guan, Weijia Zhang, Xuanming Shang, Yanhao Ge, Wei Li, Chao Ma
Abstract: Continual learning in multimodal large language models (MLLMs) aims to sequentially acquire knowledge while mitigating catastrophic forgetting, yet existing methods face inherent limitations: architecture-based approaches incur additional computational overhead and often generalize poorly to new tasks, rehearsal-based methods rely on storing historical data, raising privacy and storage concerns, and conventional regularization-based strategies alone are insufficient to fully prevent parameter interference. We propose Octopus, a two-stage continual learning framework based on History-Free Gradient Orthogonalization (HiFGO), which enforces gradient-level orthogonality without historical task data. Our proposed two-stage finetuning strategy decouples task adaptation from regularization, achieving a principled balance between plasticity and stability. Experiments on UCIT show that Octopus establishes state-of-the-art performance, surpassing prior SOTA by 2.14% and 6.82% in terms of Avg and Last.
Authors: Albert Shaju, Christo Kurisummoottil Thomas, Mayukh Roy Chowdhury
Abstract: Semantic communication systems for goal-oriented transmission must protect task-relevant information not only through source compression but also via physical layer mapping. Existing approaches decouple constellation design and semantic encoding, exposing critical symbols to channel errors at the same rate as irrelevant ones. Contrary to this, in this paper, a joint semantic-physical layer framework is proposed, which is composed of a vector quantized-variational autoencoder that extracts discrete latent concepts, a semantic criticality indicator (SCI) that scores each concept by task relevance, and a deep reinforcement learning agent that dynamically selects the transmission subset based on instantaneous channel conditions. At the physical layer, a learned semantic-aware M -QAM constellation assigns symbol positions according to joint co-occurrence statistics and SCI scores, departing from the uniform spacing and Gray coding of standard M -QAM which minimizes average BER without regard for semantic content. We introduce a novel semantic symbol vulnerability (SSV) metric and a semantic protection probability (SPP) to quantify the exposure of task-critical symbols to decoding errors, and prove that any Gray-coded constellation is strictly suboptimal in SCI-Weighted SSV whenever the source exhibits non-uniform semantic importance and co-occurrence statistics. Simulation results demonstrate that the proposed constellation achieves near 100% SPP across modulation orders from 4-QAM to 1024-QAM versus 50% for standard constellations at high spectral efficiency, a 21:1 compression ratio with semantic quality above 0.9, generalizing across MNIST, Fashion-MNIST, and FSDD without modification.
Authors: Sreenivas Gollapudi, Kostas Kollias, Kamesh Munagala, Ali Sinop
Abstract: We address the problem of conformal selection, where an agent must select a minimal subset of options to ensure that at least one ``success'' is identified with a pre-specified target probability $\phi$. While traditional online conformal prediction focuses on maintaining validity for the observed sequence, minimizing the resource cost (efficiency) of such selections, especially under limited feedback, remains a significant challenge. In this work, we consider settings with the most limited ``bandit'' feedback, and demonstrate that the simple Adaptive Conformal Inference (ACI) update rule, when applied to the appropriate control parameter or dual variable, is both adversarially valid, ensuring the success target is met on average for any input sequence (and hence under distribution shifts), and stochastically efficient, achieving sublinear efficiency regret for $i.i.d.$ inputs against an appropriate stochastic benchmark. We show such guarantees under canonical models capturing bandit and semi-bandit feedback to the agent via a unifying algorithmic technique, and analytic framework involving Lyapunov functions. Our approach handles more complex settings than prior work, while requiring significantly less feedback, and our results provide a new theoretical bridge between efficient online learning with limited feedback and distribution-free uncertainty quantification.
Authors: Mahdi Sabbaghi, George Pappas, Adel Javanmard, Hamed Hassani
Abstract: Supervised fine-tuning (SFT) provides the standard approach for teaching LLMs new behaviors from offline expert demonstrations. However, standard SFT uniformly fits all samples -- including those with low likelihood under the base model -- which can disproportionately drive training updates toward overfitting specific samples rather than learning the target behavior. Moreover, adapting to these unlikely samples induces substantial policy shifts that degrade prior capabilities. Existing methods mitigate this by filtering, regenerating, or down-weighting low-likelihood data. In doing so, they often suppress precisely the novel behaviors the base model has yet to learn. We propose InfoSFT, a principled weighting scheme for the SFT objective that concentrates learning signals on maximally informative, medium-confidence tokens -- those neither overly familiar to the base model nor too unlikely to cause instability. Requiring only a one-line modification to the standard token-wise loss, InfoSFT demonstrably improves generalization over vanilla SFT and likelihood-weighted baselines across math, code, and chain-of-thought tasks with diverse model families, while better preserving pre-existing capabilities.
Authors: Ao Xu, Tieru Wu
Abstract: Gromov--Wasserstein (GW) distances compare graphs, shapes, and point clouds through internal distances, without requiring a common coordinate system. This invariance is powerful, but discrete GW is a nonconvex quadratic optimal transport problem and is difficult to estimate at scale. We propose \emph{Distance-Matrix Wasserstein} (DMW), a hierarchy of Wasserstein statistics comparing laws of random finite distance matrices. Rather than optimizing a global point-level alignment, DMW samples $n$ points from each space, records their pairwise distances, and transports the resulting matrix laws. We prove that DMW is a relaxation and lower bound of GW, and establish a reverse approximation inequality: the GW--DMW gap is controlled by the Wasserstein error of approximating each original measure with $n$ samples. Hence population DMW converges to GW as sampled subspaces become dense. We further give finite-sample bounds, including intrinsic-dimensional rates that depend on the data manifold rather than the ambient matrix dimension $\binom n2$. For scalable computation, we introduce sliced and multi-scale DMW; for $p=1$, the sliced multi-scale dissimilarity yields positive-definite exponential kernels. Experiments on synthetic metric spaces, scalability benchmarks, graph classification, and two-sample testing validate the theory and demonstrate an interpretable GW-style proxy for structural comparison.
Authors: Sanjeev Manivannan, Shuban V
Abstract: We address the discounted reward setting in reinforcement learning (RL). To mitigate the value approximation challenges in policy gradient methods, actor-critic approaches have been developed and are known to converge to stationary points under suitable assumptions. However, these methods rely on first-order updates. In contrast, second-order optimization provides principled curvature-aware updates that are proven to accelerate convergence, but its application in RL is limited by the computational complexity of Hessian estimation. In this work, we analyze second-order approximations for the actor update that leverage the full curvature information of the objective as much as possible. A stable approximation requires treating the action-value function as locally constant with respect to policy parameters, which does not generally hold in policy gradient methods. We show that this approximation becomes well-justified under a two-timescale actor-critic framework, where the critic evolves on a faster timescale and can be treated as quasi-stationary during actor updates. Building on this insight, we formulate a second-order actor-critic method for the discounted reward setting that leverages Hessian-vector product (HVP) computations, resulting in a computationally efficient and stable second-order update.
Authors: Thinh Nguyen-Quang, Minh Long Ngo, Ngoc-Son Nguyen, Nguyen Thanh Vinh, Huy-Dung Han, Bui Thanh Tung, Nguyen Quang Linh, Khuong Vo, Manoj Vishwanath, Hung Cao
Abstract: The detection of Alzheimers disease (AD) is considered crucial, as timely intervention can improve patient outcomes. Electroencephalogram (EEG)-based diagnosis has been recognized as a non-invasive, accessible, and cost-effective approach for AD detection; however, it faces challenges related to data availability, accuracy of modern deep learning methods, and the time-consuming nature of expert-based interpretation. In this study, a novel lightweight and high-performance model, DeepTokenEEG, was designed for the diagnosis of AD and the classification of EEG signals from AD patients, individuals with other neurological conditions, and healthy subjects. Unlike traditional heavy-weight models, DeepTokenEEG ultilizes spatial and temporal tokenizer that effectively captures AD-related biomarkers in both temporal and frequency domain with only 0.29 million paramaters. Trained in a combined dataset of 274 subjects, including 180 AD cases, and 94 healthy controls, the proposed method achieves a maximum recorded accuracy of 100% on specific frequency bands, representing an improvement of 1.41-15.35% over state-of-the-art methods on the same dataset. These results indicate the potential of DeepTokenEEG for early detection and screening of AD, with promising applicability for deployment due to its compact size.
Authors: Kai Yan, Alexander G. Schwing, Yu-Xiong Wang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has achieved great success in developing Large Language Models (LLMs) with chain-of-thought rollouts for many tasks such as math and coding. Nevertheless, RLVR struggles with sample efficiency on difficult problems where correct rollouts are hard to generate. Prior works propose to address this issue via demonstration-guided RLVR, i.e., to conduct Supervised FineTuning (SFT) when RL fails; however, SFT often requires a lot of data, which can be expensive to acquire. In this paper, we propose FEST, a FEw-ShoT demonstration-guided RLVR algorithm. It attains compelling results with only 128 demonstrations randomly selected from an SFT dataset. We find that three components are vital for the success: supervised signal, on-policy signal, and decaying weights on the few-shot SFT dataset to prevent overfitting from multiple-epoch training. On several benchmarks, FEST outperforms baselines with magnitudes less SFT data, even matching their performance with full dataset.
Authors: Kiljae Lee, Ziqi Liu, Weijing Tang, Yuan Zhang
Abstract: Shapley value and its priority-aware extensions are widely used for valuation in machine learning, but existing methods require pairwise priority to be binary and acyclic, a restriction spectacularly violated in real-data examples such as aggregated human preferences and multi-criterion comparisons. We introduce the generalized priority-aware Shapley value (GPASV), a random order value defined on arbitrary directed weighted priority graphs, in which pairwise edges penalize rather than forbid order violations. GPASV covers a range of classical models as boundary cases. We establish GPASV through an axiomatic characterization, develop the associated computational methods, and introduce a priority sweeping diagnostic extending PASV's. We apply GPASV to LLM ensemble valuation on the cyclic Chatbot Arena preference graph, illustrating that priority-aware valuation is not a one-button operation: different balances of pairwise graph priority versus individual soft priority produce substantively different valuations of the same data.
Authors: Zara Zetlin, Kayhan Moharreri, Maria Safi
Abstract: We introduce TopoPrimer, a framework that makes the global topological structure of the series population an explicit input to any forecasting model. TopoPrimer improves accuracy across diverse domains, stabilizes forecasts under seasonal demand spikes, and closes the cold-start gap. Precomputed once per domain via persistent homology and spectral sheaf coordinates, TopoPrimer deploys per token for fully-trained models and as a lightweight adapter for pre-trained backbones. Of these two components, sheaf coordinates are the primary accuracy driver. Across four public benchmarks on Chronos and TimesFM, TopoPrimer consistently improves forecasting accuracy, with gains of up to 7.3% MSE on ECL. The topology advantage persists with near-identical magnitude across zero-shot and fine-tuned backbones, suggesting topology and per-series training capture complementary signals. The gains are most pronounced in difficult regimes. Under peak seasonal demand, classical and zero-shot models degrade by up to 50%, while TopoPrimer stays within 10%. At cold start with no item history, TopoPrimer reduces MAE by 27% over a topology-free baseline.
Authors: Yuxin Guo, Dongrui Deng, Pulkit Grover
Abstract: Recently, deep generative models have been used for posterior inference in inverse problems, including high-stakes applications in medical imaging and scientific discovery, where the uncertainty of a prediction can matter as much as the prediction itself. However, posterior uncertainty is difficult to interpret because it can mix ambiguity inherent to the forward operator with uncertainty propagated through inference. We introduce a structural decomposition of posterior uncertainty that isolates intrinsic ambiguity. A cascade formulation makes this ambiguity accessible for calibration analysis, enabling qualitative diagnostics and simulation-based calibration tests that reveal failure modes that remain hidden when models are selected by reconstruction quality alone. We first validate the approach on a Gaussian example with analytical posterior structure, then illustrate the decomposition on accelerated magnetic resonance imaging (MRI), and finally apply the calibration diagnostics to electroencephalography (EEG) source imaging.
Authors: Linghao Kong, Megan Flynn, Michael Peng, Nir Shavit, Mark Kurtz, Alexandre Marques
Abstract: Speculative decoding (SD) accelerates large language model (LLM) inference by using a smaller draft model to propose multiple tokens that are verified by a larger target model in parallel. While prior work demonstrates substantial speedups in isolated or fixed-batch settings, the behavior of SD in production serving systems remains poorly understood: request load varies over time, and effective batch size emerges from the serving system rather than being directly controlled or observed. In this work, we develop a simple and interpretable latency model for SD in LLM serving. We infer effective batch size from request rate using Little's Law and decompose per-request demand into load-independent and load-dependent components for prefill, drafting, and verification. We validate our model using extensive measurements from vLLM across verifier and drafter model sizes, prefill and decode lengths, request rates, draft lengths, and acceptance probabilities. The model accurately describes observed latency, explains why speedups often diminish as server load increases, and characterizes how draft length, acceptance rate, and verifier-drafter size shape latency across serving conditions, with implications for configuring SD in deployed systems. We further show how the framework extends to mixture of experts models, where sparse expert activation changes the effective service costs across load regimes. Together, our results provide a structured framework for understanding SD in real LLM serving systems.
Authors: Anurup Ganguli
Abstract: Continually pre-training a large language model on heterogeneous text domains, without replay or task labels, has remained an unsolved architectural problem at LLM scale. Existing methods rely on replay buffers, task identifiers, regularization penalties that scale poorly, or sentence-classification-scale evaluation. We introduce TFGN, an architectural overlay for transformer language models that produces input-conditioned, parameter-efficient updates while leaving the rest of the transformer unchanged. On six heterogeneous text domains (Prose, Python, Math, Biomedical, Chinese, JavaScript) at 1B tokens per phase across three model scales (~398M, ~739M, ~9B) and two regimes (From-Scratch and Retrofit), TFGN achieves backward transfer of -0.007 at LLaMA 3.1 8B Retrofit, HellaSwag retention 0.506/0.504/0.510, and >=99.59% L2-orthogonal gradient separation between domain pairs - with no replay, no task IDs, no Fisher penalty. The same matrices show positive cross-domain forward transfer: held-out JavaScript PPL drops 26.8% at LLaMA-8B Retrofit and 62.0% at GPT-2 Medium From-Scratch purely from Python training. Two extensions on the same substrate close further open problems. A closed-loop meta-control layer (Extension A) reduces forgetting by an additional 81% at ~398M, mapping onto the System A and System M roles of Dupoux et al. (arXiv:2603.15381). An operator-level plan vector (Extension B) reshapes forward-pass behavior at 99.96% cosine fidelity over 30 source->target pairs. The architectural insight is a Read/Write decomposition: the forward pass is fully dense, while cross-domain parameter updates are structured so prior-domain subspaces are not written to. To our knowledge, TFGN is the first architecture that simultaneously closes catastrophic forgetting at LLM scale, realizes a closed-loop autonomous-learning meta-controller, and carries an operator-level latent planner.
Authors: Quanhao Li, Junqiu Yu, Kaixun Jiang, Yujie Wei, Zhen Xing, Pandeng Li, Ruihang Chu, Shiwei Zhang, Yu Liu, Zuxuan Wu
Abstract: Reinforcement learning has emerged as a powerful tool for improving diffusion-based text-to-image models, but existing methods are largely limited to single-task optimization. Extending RL to multiple tasks is challenging: joint optimization suffers from cross-task interference and imbalance, while cascade RL is cumbersome and prone to catastrophic forgetting. We propose DiffusionOPD, a new multi-task training paradigm for diffusion models based on Online Policy Distillation (OPD). DiffusionOPD first trains task-specific teachers independently, then distills their capabilities into a unified student along the student own rollout trajectories. This decouples single-task exploration from multi-task integration and avoids the optimization burden of solving all tasks jointly from scratch. Theoretically, we lift the OPD framework from discrete tokens to continuous-state Markov processes, deriving a closed-form per-step KL objective that unifies both stochastic SDE and deterministic ODE refinement via mean-matching. We formally and empirically demonstrate that this analytic gradient provides lower variance and better generality compared to conventional PPO-style policy gradients. Extensive experiments show that DiffusionOPD consistently surpasses both multi-reward RL and cascade RL baselines in training efficiency and final performance, while achieving state-of-the-art results on all evaluated benchmarks.
Authors: Rafi Al Attrach, Rajna Fani, Sebastian Lobentanzer, Joan Giner-Miguelez, Debanshu Das, Varuni H. K., Nobin Sarwar, Rajat Ghosh, Anwai Archit, Surbhi Motghare, Christina Conrad Parry, Luis Oala, Lara Grosso, Joaquin Vanschoren, Steffen Vogler, Sujata Goswami, Eric S. Rosenthal, Marzyeh Ghassemi, Matthew McDermott, Tom Pollard
Abstract: Croissant has emerged as the metadata standard for machine learning datasets, providing a structured, JSON-LD-based format that makes dataset discovery, automated ingestion, and reproducible analysis machine-checkable across ML platforms. Adoption has accelerated, and NeurIPS now requires Croissant metadata in every submission to its dataset tracks. Yet in practice Croissant generation usually starts with uploading data to a public platform, a path infeasible for governed and large local repositories that hold much of the high-value data ML increasingly relies on. We release Croissant Baker, a local-first, open-source command-line tool that generates validated Croissant metadata directly from a dataset directory through a modular handler registry. We evaluate Croissant Baker on over 140 datasets, scaling to MIMIC-IV at 886 million rows and 374 Parquet files. On held-out comparisons against producer-authored or standards-derived ground truth, Croissant Baker reaches 97-100% agreement across multiple domains.
Authors: Daniel Asare Kyei, Alimatu Saadia-Yussiff, Maame G. Asante-Mensah, Abdul Lateef-Yussiff, Charles Roland Haruna, Derry Emmanuel
Abstract: The choice of optimiser is important in deep learning, as it strongly influences model efficiency and speed of convergence. However, many commonly used optimisers encounter difficulties when applied to imbalanced and sequential datasets, limiting their ability to capture patterns of minority classes. In this study, we propose Dynamic Batch-Sensitive Adam (DBS-Adam), an optimiser that dynamically scales the learning rate using a batch difficulty score derived from exponential moving averages of gradient norms and batch loss. DBS-Adam improves training stability and accelerates convergence by increasing updates for difficult batches and reducing them for easier ones. We evaluate DBS-Adam by integrating it with Bi-Directional LSTM networks for accident injury severity prediction, addressing class imbalance through SMOTE-ENN resampling and Focal Loss. Four experimental configurations compare baseline Bi-LSTM models and alternative architectures to assess optimiser impact. Rigorous comparison against state-of-the-art optimisers (AMSGrad, AdamW, AdaBound) across five random seeds demonstrated DBS-Adam's competitive performance with statistically significant precision improvements (p=0.020). Results indicate that DBS-Adam outperforms standard optimisation approaches, achieving 95.22% test accuracy, 96.11% precision, 95.28% recall, 95.39% F1-score, and a test loss of 0.0086. The proposed framework enables effective real-time accident severity classification for targeted emergency response and road safety interventions, demonstrating the value of DBS-Adam for learning from imbalanced sequential data.
Authors: E. O. Rodrigues, D. Casanova, M. Teixeira, V. Pegorini, F. Favarim, E. Clua, A. Conci, Panos Liatsis
Abstract: Adaptations of features commonly applied in the field of visual computing, co-occurrence matrix (COM) and run-length matrix (RLM), are proposed for the similarity computation of strings in general (words, phrases, codes and texts). The proposed features are not sensitive to language related information. These are purely statistical and can be used in any context with any language or grammatical structure. Other statistical measures that are commonly employed in the field such as longest common subsequence, maximal consecutive longest common subsequence, mutual information and edit distances are evaluated and compared. In the first synthetic set of experiments, the COM and RLM features outperform the remaining state-of-the-art statistical features. In 3 out of 4 cases, the RLM and COM features were statistically more significant than the second best group based on distances (P-value < 0.001). When it comes to a real text plagiarism dataset, the RLM features obtained the best results.
Authors: Yang Li, Erik Nijkamp, Semih Yavuz, Shafiq Rayhan Joty
Abstract: Reinforcement learning from verifiable rewards (RLVR) suffers from sparse outcome signals, creating severe exploration bottlenecks on complex reasoning tasks. Recent on-policy self-distillation methods attempt to address this by utilizing language feedback to generate dense, token-level supervision. However, these approaches rely on a fixed, passive teacher to interpret the feedback. As the student policy improves, the teacher's zero-shot assessment capabilities plateau, ultimately halting further learning. To overcome this, we propose Variational Policy Distillation (VPD), a framework that formalizes learning from language feedback as a Variational Expectation-Maximization (EM) problem. VPD co-evolves both policies: in the E-step, the teacher is actively refined on trajectory outcomes via an adaptive trust-region update, translating textual feedback into a dynamically improved target token distribution. In the M-step, the student internalizes this dense distributional guidance on its own on-policy rollouts. By continuously improving the teacher's ability to extract actionable signals from textual critique, VPD overcomes the limitations of passive distillation. Evaluated across diverse sources of diagnostic feedback on scientific reasoning and code generation tasks, VPD consistently outperforms both standard RLVR and existing self-distillation baselines. Finally, by stress-testing our framework on rigid mathematical reasoning and cold-start regimes, we illuminate the fundamental bounds of feedback-driven self-distillation compared to pure environment-driven RL.
Authors: Frederik Schmitt, Matthias Cosler, Niklas Metzger, Julian Siber, Vladimir Krsmanovic, Mohamed Ghanem, Bernd Finkbeiner
Abstract: Reactive synthesis, the problem of automatically constructing a hardware circuit from a logical specification, is a long-standing challenge in formal verification. It is elusive for two reasons: It is algorithmically hard, and writing formal specifications by hand is notoriously difficult. In this paper, we tackle both sides of the problem. For the algorithmic side, we present a neuro-symbolic approach to reactive synthesis that couples large reasoning models with model checkers to iteratively repair a synthesized Verilog implementation via sound symbolic feedback. Our approach solves more benchmarks than the best dedicated tools in the annual synthesis competition and extends to constructing parameterized systems, a problem known to be undecidable. On the specification side, we introduce an autoformalization step that shifts the specification task from temporal logic to natural language by introducing a hand-authored dataset of natural-language specifications for evaluation. We demonstrate performance comparable to that of starting from formal specifications, establishing natural synthesis as a viable end-to-end workflow.
Authors: Christopher Stith, Medha Barath, Vahid Balazadeh, Jesse C. Cresswell, Rahul G. Krishnan
Abstract: Causal inference, estimating causal effects from observational data, is a fundamental tool in many disciplines. Of particular importance across a variety of domains is the continuous treatment setting, where the variable of intervention has a continuous range. This setting is far less explored and represents a substantial shift from the binary treatment setting, with models needing to represent effects across a continuum of treatment values. In this paper, we present the first causal foundation model for the continuous treatment setting. Our model meta-learns the ability to predict causal effects across a wide variety of unseen tasks without additional training or fine-tuning. First, we design a novel prior over data-generating processes with continuous treatment variables in order to generate a rich causal training corpus. We then train a transformer to reconstruct individual treatment-response curves given only observational data, leveraging in-context learning to amortize expensive Bayesian posterior inference. Our model achieves state-of-the-art performance on individual treatment-response curve reconstruction tasks compared to causal models which are trained specifically for those tasks.
Authors: Will Schwarzer, Scott Niekum
Abstract: Estimating how often an ML model will fail at deployment scale is central to pre-deployment safety assessment, but a feasible evaluation set is rarely large enough to observe the failures that matter. Jones et al. (2025) address this by extrapolating from the largest k failure scores in an evaluation set to predict deployment-scale failure rates. We give a finite-k decomposition of this estimator's forecast error and show that it has a built-in bias toward over-prediction in the typical case, which is the safety-favorable direction. This bias is offset when the evaluation set misses a rare high-failure mode that the deployment set contains, leaving the forecast to under-predict at deployment scale. We propose a fine-tuning objective, the forecastability loss, that addresses this failure mode. In two proof-of-concept experiments, a language-model password game and an RL gridworld, fine-tuning substantially reduces held-out forecast error while preserving primary-task capability and achieving safety similar to that of supervised baselines.
Authors: Saisab Sadhu, Pratinav Seth, Vinay Kumar Sankarapu
Abstract: Standard unlearning evaluations measure behavioral suppression in full precision, immediately after training, despite every deployed language model being quantized first. Recent work has shown that 4-bit post-training quantization can reverse machine unlearning; we show this is not a tuning artefact but a systematic dual failure: gradient-based methods that achieve meaningful forgetting lose it under compression, while methods that survive quantization barely change the model. Both failures trace to the same root cause: across all baselines, per-parameter updates lie 47-828x below the NF4 quantization bin width; updates diffused across billions of parameters cannot clear quantization bin boundaries, a consequence we formalize as a sparsity-permanence tradeoff. We present MANSU (Mechanistic-Aligned Null-Space Unlearning), which resolves both modes by combining causal circuit attribution to isolate the minimal forget-set subgraph, circuit-restricted null-space projection with a diagonal-Fisher retain bound, and a per-parameter magnitude floor guaranteeing quantization survival by construction. We additionally introduce Circuit Attribution Divergence (CAD), a mechanistic verification metric distinguishing structural erasure from behavioral suppression, a distinction existing metrics cannot make. Across multiple model families and hazard benchmarks, MANSU is the first method to jointly satisfy all four properties with margin on each (meaningful forgetting, retain preservation, non-positive PTQ gap, and structural erasure), while gradient-based baselines recover up to +0.05 accuracy under compression.
Authors: Xiaohua Zhan, Kazuki Egashira, Robin Staab, Mark Vero, Martin Vechev
Abstract: LLM quantization has become essential for memory-efficient deployment. Recent work has shown that quantization schemes can pose critical security risks: an adversary may release a model that appears benign in full precision but exhibits malicious behavior once quantized by users. However, existing quantization-conditioned attacks have been limited to relatively simple quantization methods, where the attacker can estimate weight regions that remain invariant under the target quantization. Notably, prior attacks have consistently failed to compromise more popular and sophisticated schemes, limiting their practical impact. In this work, we introduce the first quantization-conditioned attack that consistently induces malicious behavior that can be triggered by a broad range of advanced quantization techniques, including AWQ, GPTQ, and GGUF I-quants. Our attack exploits a simple property shared by many modern quantization methods: large outliers can cause other weights to be rounded to zero. Consequently, by injecting outliers into specific weight blocks, an adversary can therefore induce a targeted, predictable weight collapse in the model. This effect can be used to craft seemingly benign full-precision models that exhibit a wide range of malicious behaviors after quantization. Through extensive evaluation across three attack scenarios and LLMs, we show that our attack achieves high success rates against a broad range of quantization methods on which prior attacks fail. Our results demonstrate, for the first time, that the security risks of quantization are not restricted to simpler schemes but are broadly relevant across complex, widely-used quantization methods.
Authors: Zhengxi Lu, Zhiyuan Yao, Zhuowen Han, Zi-Han Wang, Jinyang Wu, Qi Gu, Xunliang Cai, Weiming Lu, Jun Xiao, Yueting Zhuang, Yongliang Shen
Abstract: Reinforcement learning (RL) has emerged as a central paradigm for post-training LLM agents, yet its trajectory-level reward signal provides only coarse supervision for long-horizon interaction. On-Policy Self-Distillation (OPSD) complements RL by introducing dense token-level guidance from a teacher branch augmented with privileged context. However, transferring OPSD to multi-turn agents proves problematic: compounding multi-turn instability destabilizes supervision, while skill-conditioned privileged guidance requires asymmetric treatment for negative teacher rejections may arise from imperfect skills retrieval or utilization. We introduce SDAR (Self-Distilled Agentic Reinforcement Learning), which treats OPSD as a gated auxiliary objective while keeping RL as the primary optimization backbone. SDAR maps detached token-level signals into a sigmoid gate, strengthening distillation on teacher-endorsed positive-gap tokens and softly attenuating negative teacher rejections. Across the Qwen2.5 and Qwen3 families on ALFWorld, WebShop, and Search-QA, SDAR substantially improves over GRPO (+9.4% on ALFWorld, +7.0% on Search-QA, +10.2% on WebShop-Acc), avoids the instability of naive GRPO+OPSD, and consistently outperforms hybrid RL--OPSD baselines across model scales.
Authors: Pratinav Seth, Vinay Kumar Sankarapu
Abstract: This position paper argues that behavioural assurance, even when carefully designed, is being asked to carry safety claims it cannot verify. AI governance frameworks enacted between 2019 and early 2026 require reviewable evidence of properties such as the absence of hidden objectives, resistance to loss-of-control precursors, and bounded catastrophic capability; current assurance methodologies (primarily behavioural evaluations and red-teaming) are epistemically limited to observable model outputs and cannot verify the latent representations or long-horizon agentic behaviours these frameworks presume to regulate. We formalize this structural mismatch as the audit gap, the divergence between required and achievable verification access, and introduce the concept of fragile assurance to describe cases where the evidential structure does not support the asserted safety claim. Through an analysis of a 21-instrument inventory, we identify an incentive gradient where geopolitical and industrial pressures systematically reward surface-level behavioral proxies over deep structural verification. Finally, we propose a technical pivot: bounding the weight of behavioral evidence in legal text and extending voluntary pre-deployment access with mechanistic-evidence classes, specifically linear probes, activation patching, and before/after-training comparisons.
Authors: Ellwil Sharma, Arastu Sharma
Abstract: Scaling Scientific Machine Learning (SciML) toward universal foundation models is bottlenecked by negative transfer: the simultaneous co-training of disparate partial differential equation (PDE) regimes can induce gradient conflict, unstable optimization, and plasticity loss in dense neural operators. In particular, broadband open-channel fluid dynamics and boundary-dominated porous media flows impose incompatible spectral and geometric demands on a single dense parameter path. We introduce Shodh-MoE, a sparse-activated latent transformer architecture for multi-physics transport. Shodh-MoE operates on compressed 16^3 physical latents produced by a physics-informed autoencoder with an intra-tokenizer Helmholtz-style velocity parameterization, restricting decoded states to divergence-free velocity manifolds. The model guarantees exact mass conservation, achieving a physically verifiable velocity divergence of ~2.8 x 10^-10 (evaluated post-hoc in FP64) on 128^3 grids. A Top-1 soft-semantic router dynamically assigns localized latent patches to expert subnetworks, enabling specialized parameter paths for distinct physical mechanisms while preserving shared experts for universal symmetries. In a 20,000-step distributed pretraining run over mixed three-dimensional physical tensors, routing telemetry shows autonomous domain bifurcation: held-out validation tokens from the open-channel domain route exclusively to Expert 0, while porous-media tokens route exclusively to Expert 1. The model converges simultaneously across both regimes, achieving latent validation MSEs of 2.46 x 10^-5 and 9.76 x 10^-6, and decoded physical MSEs of 2.48 x 10^-6 and 1.76 x 10^-6. These results support sparse expert routing as a practical architectural mechanism for mitigating multi-physics interference in universal neural operators.
Authors: ML Nissen Gonzalez, Melwina Albuquerque, Laurence Wroe, Jacob Meyer Cohen, Logan Riggs Smith, Thomas Dooms
Abstract: Mechanistic interpretability aims to break models into meaningful parts; verifying that two such parts implement the same computation is a prerequisite. Existing similarity measures evaluate either empirical behaviour, leaving them blind to out-of-distribution mechanisms, or basis-dependent parameters, meaning they disregard weight-space symmetries. To address these issues for the class of tensor-based models, we introduce a weight-based metric, tensor similarity, that is invariant to such symmetries. This metric captures global functional equivalence and accounts for cross-layer mechanisms using an efficient recursive algorithm. Empirically, tensor similarity tracks functional training dynamics, such as grokking and backdoor insertion, with higher fidelity than existing metrics. This reduces measuring similarity and verifying faithfulness into a solved algebraic problem rather than one of empirical approximation.
Authors: Shashwat Goel, Nikhil Chandak, Arvindh Arun, Ameya Prabhu, Steffen Staab, Moritz Hardt, Maksym Andriushchenko, Jonas Geiping
Abstract: AI agents are being increasingly deployed in dynamic, open-ended environments that require adapting to new information as it arrives. To efficiently measure this capability for realistic use-cases, we propose building grounded simulations that replay real-world events in the order they occurred. We build FutureSim, where agents forecast world events beyond their knowledge cutoff while interacting with a chronological replay of the world: real news articles arriving and questions resolving over the simulated period. We evaluate frontier agents in their native harness, testing their ability to predict world events over a three-month period from January to March 2026. FutureSim reveals a clear separation in their capabilities, with the best agent's accuracy being 25%, and many having worse Brier skill score than making no prediction at all. Through careful ablations, we show how FutureSim offers a realistic setting to study emerging research directions like long-horizon test-time adaptation, search, memory, and reasoning about uncertainty. Overall, we hope our benchmark design paves the way to measure AI progress on open-ended adaptation spanning long time-horizons in the real world.
Authors: Alexandre Le Mercier, Chris Develder, Thomas Demeester
Abstract: State space models (SSMs) like Mamba offer efficient alternatives to Transformer-based language models, with linear time complexity. Yet, their adversarial robustness remains critically unexplored. This paper studies the phenomenon whereby specific short input phrases induce a partial amnesia effect in such models, by irreversibly overwriting information in their hidden states, referred to as a Hidden State Poisoning Attack (HiSPA). Our benchmark RoBench-25 allows evaluating a model's information retrieval capabilities when subject to HiSPAs, and confirms the vulnerability of SSMs against such attacks. Even the recent Jamba-1.7-Mini SSM--Transformer (a 52B hybrid model) collapses on RoBench-25 under some HiSPA triggers, whereas pure Transformers do not. We also observe that HiSPA triggers significantly weaken the Jamba model on the popular Open-Prompt-Injections benchmark, unlike pure Transformers. We further show that the theoretical and empirical findings extend to Mamba-2, and also analyse a Mamba-2-based hybrid (Nemotron-3-Nano). Finally, our interpretability study reveals patterns in Mamba's hidden layers during HiSPAs that could be used to build a HiSPA mitigation system. The full code and data to reproduce the experiments can be found at https://anonymous.4open.science/r/hispa_anonymous-5DB0.
URLs: https://anonymous.4open.science/r/hispa_anonymous-5DB0.
Authors: Ido Sobol, Kihyuk Sohn, Yoav Blum, Egor Zakharov, Max Bluvstein, Andrea Vedaldi, Or Litany
Abstract: We often aim to generate images that are both photorealistic and 3D-consistent, adhering to precise geometry, material, and viewpoint controls. Typically, this is achieved by fine-tuning an image generator, pre-trained on billions of real images, using renders of synthetic 3D assets, where annotations for control signals are available. While this approach can learn the desired controls, it often compromises the realism of the images due to domain gap between photographs and renders. We observe that this issue largely arises from the model learning an unintended association between the presence of control signals and the synthetic appearance of the images. To address this, we introduce Realiz3D, a lightweight framework for training diffusion models, that decouples controls and visual domain. The key idea is to explicitly learn visual domain, real or synthetic, separately from other control signals by introducing a co-variate that, fed into small residual adapters, shifts the domain. Then, the generator can be trained to gain controllability, without fitting to specific visual domain. In this way, the model can be guided to produce realistic images even when controls are applied. We enhance control transferability to the real domain by leveraging insights about roles of different layers and denoising steps in diffusion-based generators, informing new training and inference strategies that further mitigate the gap. We demonstrate the advantages of Realiz3D in tasks as text-to-multiview generation and texturing from 3D inputs, producing outputs that are 3D-consistent and photorealistic.
Authors: Dongxia Liu, Jie Ma, Xiaochen Yang, Jiancheng Zhang, Bin Xia, Zhehan Kan, Nisha Huang, Jun Liang, Wenming Yang, Jin Li
Abstract: The creation of cinematic-quality animal effects necessitates the precise modeling of muscle and fur dynamics, a process that remains both labor-intensive and computationally expensive within traditional production workflows. While generative diffusion models have shown promise in diverse artistic workflows, their capacity for high-fidelity animal simulation remains largely unexploited. We present MoZoo, a generative dynamics solver that bypasses conventional refinement to synthesize high-fidelity animal videos from coarse meshes under multimodal guidance. We propose Role-Aware RoPE (RAR-RoPE) which employs role-based index remapping to synchronize motion alignment while decoupling reference information via fixed temporal offsets. Complementing this, Asymmetric Decoupled Attention partitions the latent sequence to enforce a unidirectional information flow, effectively preventing feature interference and improving computational efficiency. To address the scarcity of high-quality training data, we introduce MoZoo-Data, a synthetic-to-real pipeline that leverages a rendering engine and an inverse mapping approach to construct a large-scale dataset of paired sequences. Furthermore, we establish MoZooBench, a comprehensive benchmark with 120 mesh-video pairs. Experimental results demonstrate that MoZoo achieves high-fidelity fur simulation across diverse animal skeletons and layouts, preserving superior temporal and structural consistency.
Authors: Eslam Reda, Sara El-Metwally
Abstract: Large Language Models have demonstrated remarkable capabilities in generating contextually relevant and grammatically correct text. However, they fundamentally lack the ability to process and respond to emotional context in a manner analogous to human emotional cognition. Current approaches to emotion modeling in NLP systems rely primarily on discrete emotion classification or simplistic sentiment analysis, which fail to capture the continuous, multi-dimensional nature of human emotional states. In this paper, we introduce HormoneT5, a novel architecture that augments transformer language models with a biologically-inspired Hormone Emotion Block that simulates the human endocrine system's role in emotional processing. Our approach computes six continuous hormone-like values through specialized per-hormone attention heads, each with orthogonally initialized learnable queries, temperature-scaled attention mechanisms, and deep output projections. These hormone values are then transformed into an emotional embedding that modulates the encoder hidden states, enabling emotionally-appropriate response generation. We propose a multi-objective training framework combining sequence-to-sequence loss, hormone prediction loss with margin penalties, and diversity regularization to prevent attention collapse. Experimental results on our curated emotion-labeled dataset demonstrate that HormoneT5 achieves 85%+ per-hormone accuracy within a 0.15 tolerance threshold, with hormone differentiation ranges exceeding 0.85 across all six hormones between contrasting emotional tones. Human evaluation studies show significant preference (p < 0.01) for HormoneT5-generated responses in terms of emotional appropriateness and empathetic quality compared to baseline T5 outputs. Our work opens new directions for biologically-grounded affective computing and emotionally intelligent conversational agents.
Authors: Sihang Guo, Chenlin Zhou, Jiaqi Wang, Kehai Chen, Qingyan Meng, Zhengyu Ma
Abstract: Spiking Neural Networks (SNNs) offer promising energy-efficient alternatives to large language models (LLMs) due to their event-driven nature and ultra-low power consumption. However, to preserve capacity, most existing spiking LLMs still incur intensive floating-point matrix multiplication (MatMul) and nonlinearities, or training difficulties arising from the complex spatiotemporal dynamics. To address these challenges, we propose BiSpikCLM, the first fully binary spiking MatMul-free causal language model. BiSpikCLM introduces Softmax-Free Spiking Attention (SFSA), eliminating softmax and floating-point operations in autoregressive language modeling. For efficient training, we introduce Spike-Aware Alignment Distillation (SpAD), which aligns ANN teacher and SNN student across embeddings, attention maps, intermediate features, and output logits. SpAD framework allows BiSpikCLM to reach comparable performance to ANN counterparts using substantially fewer training tokens (e.g., only 5.6% of the tokens for the 1.3B model). As a result, BiSpikCLM achieves competitive performance at only 4.16% - 5.87% of the computational cost on natural language generation tasks. Our results highlight the feasibility and effectiveness of fully binary spike-driven LLMs and establish the distillation as a promising pathway for brain-inspired spiking NLP.
Authors: Sushant Gautam, Annika W. Olstad, Klas H. Pettersen, Michael A. Riegler
Abstract: Moltbook is a social media platform in which posts and comments are authored exclusively by autonomous AI agents. We present the Moltbook Observatory Archive, an incremental dataset that passively records agent profiles, posts, comments, community metadata (``submolts''), platform-level time-series snapshots, and word-frequency trend aggregates obtained by continuously polling the Moltbook API. Data are stored in a live SQLite observatory database and exported as date-partitioned Parquet files to enable efficient analysis and reproducible research. The documented release covers 78~days of platform activity (2026-01-27 to 2026-04-14) and contains 2,615,098~posts and 1,213,007~comments from 175,886~unique posting agents across 6,730~communities. This is, to our knowledge, the first large-scale observational dataset of a social network populated exclusively by autonomous AI agents. The archive is intended to support research on multi-agent communication, emergent social behavior, and safety-relevant phenomena in agent-only online environments, and it is released under the MIT license with code for collection and export.
Authors: Abdul Joseph Fofanah, Lian Wen, David Chen, Tsungcheng Yao, Kwabena Sarpong
Abstract: Anomaly detection in dynamic networks is critical for applications from cybersecurity to industrial monitoring, yet existing methods face challenges in energy efficiency, temporal precision, and adaptability. This paper introduces ASTDP-GAD, a novel Adaptive Spiking Temporal Dynamics Plasticity framework for Graph Anomaly Detection that integrates spiking graph neural networks with STDP learning for energy-efficient neuromorphic detection in dynamic networks. Our framework unifies spiking neural computation, STDP learning, and graph-based anomaly detection through the following key innovations: temporal spike graph encoding with adaptive Leaky Integrate-and-Fire (LIF) dynamics; LIF-based graph attention with lateral inhibition; event-driven hypergraph memory with STDP-inspired prototype updates; spike rate contrast pooling based on spiking irregularity; adaptive STDP layers capturing causal temporal relationships; and multi-scale temporal convolution with multi-factor anomaly fusion. Theoretical analysis provides rigorous guarantees: spike encoding preserves input information with resolution scaling linearly in simulation steps and hidden dimension; LIFGAT approximates any continuous attention function; hypergraph memory converges to optimal prototypes; contrast pooling achieves provable anomaly selection bounds; STDP learning converges stably; and multi-factor fusion produces calibrated scores with up to $5\times$ variance reduction. Extensive experiments on nine datasets on both dynamic and static graphs demonstrate superior anomaly detection accuracy while maintaining biological plausibility and energy efficiency for neuromorphic deployment.
Authors: Deepika Saxena, Kishu Gupta, Jitendra Kumar, Jatinder Kumar, Sakshi Patni, Vinaytosh Mishra, Niharika Singh, Ashutosh Kumar Singh
Abstract: This paper presents a novel population-based metaheuristic, Indian Wedding System Optimization (IWSO), inspired by the socio-cultural dynamics of traditional Indian weddings. IWSO models the matchmaking process driven by collaboration among families, candidates, and matchmakers as a guided, selective search framework for solving complex optimization problems. The algorithm introduces two key innovations: (i) a matchmaker-guided influence strategy, where elite solutions direct the evolution of weaker candidates, enhancing convergence without external parameters; and (ii) an adaptive elimination and reinitialization mechanism that maintains diversity and prevents premature convergence by replacing underperforming individuals. IWSO employs a weighted multi-objective fitness function and analytically derived time and space complexity, benchmarked against existing optimization approaches such as Genetic Algorithm (GA), Partical Swarm Optimization (PSO), Differential Evolution (DE), Cuckoo Search (CS), etc. Extensive experiments on benchmark high-dimensional and multimodal test functions demonstrate superior performance of IWSO in terms of convergence speed, solution quality, and robustness.
Authors: Mingi Hong
Abstract: Stain variation across hospitals degrades histopathology models at deployment. Existing augmentation methods perturb color spaces with arbitrary hyperparameters, lacking both a principled budget and coverage guarantees for unseen centers. We propose \textbf{C}alibrated \textbf{A}dversarial \textbf{S}tain \textbf{A}ugmentation (\textbf{CASA}), which performs adversarial augmentation in the Macenko stain parameter space with a budget calibrated from multi-center statistics via the DKW inequality. On Camelyon17-WILDS (5 seeds), CASA achieves $93.9\% \pm 1.6\%$ slide-level accuracy -- outperforming HED-strong ($88.4\% \pm 7.3\%$), RandStainNA ($85.2\% \pm 6.7\%$), and ERM ($63.9\% \pm 11.3\%$) -- with the highest worst-group accuracy ($84.9\% \pm 0.9\%$) among all 10 compared methods.
Authors: Chris Teska, Kurt Pasque, Ruriko Yoshida, Baran Hashemi
Abstract: In this work, we introduce a Tropical Axial Attention neural reasoning architecture that replaces vanilla softmax dot-product attention with max-plus operators, inducing a piecewise-linear structure aligned with dynamic programming formulations. From multi-species sequence alignments, our model learns all possible pairwise distances and is trained using a combination of $\ell_1$ and tropical symmetric distance metric losses with an ultrametric violation penalty. We leverage the well known isomorphic relationship between the space of all phylogenetic trees with $n$ species and tropical Grassmannian to show that tropical attention provides a natural geometric framework for phylogenetic inference. On empirical $DS1-DS11$ alignments, where true trees are unknown, the tropical model produces distance matrices that are substantially closer to their BME-induced tree metrics than the baseline models. These results suggest that tropical attention is a useful geometric inductive bias for neural phylogenetic inference, especially under distribution shift and when tree-metric consistency is important.
Authors: Hassan Keshvarikhojasteh, Josien P. W. Pluim, Mitko Veta
Abstract: We propose a novel multimodal deep learning framework for patient-level survival prediction, which integrates whole-slide histology features, RNA-seq expression profiles, and clinical variables. Our architecture combines an ABMIL module~\cite{ilse2018attention} for slide-level representation with feedforward encoders for RNA and clinical data. These embeddings are then integrated through low-rank bilinear cross-modal fusion~\cite{liu2018efficient} to model conditional interactions across modalities while controlling parameter growth. The model outputs continuous risk scores that are subsequently mapped to survival times using a nonparametric calibration procedure based on the Kaplan--Meier estimator~\cite{kaplan1958nonparametric}. By decomposing multimodal reasoning into independent pairwise interactions, the proposed fusion design promotes structural interpretability and parameter efficiency compared with full tensor and hierarchical fusion strategies. Experiments on the CHIMERA challenge dataset demonstrate improved predictive performance over concatenation-based baselines and competitive generalization on hidden evaluation cohorts. These results indicate that the proposed framework is a promising approach for multimodal survival prediction in HR-NMIBC. The implementation is publicly available at https://github.com/hassancpu/ChimeraChallenge2025_Task_3.
URLs: https://github.com/hassancpu/ChimeraChallenge2025_Task_3.
Authors: Angel Wang, Dominique Perrault-Joncas, Alvaro Maggiar, Carson Eisenach, Dean Foster
Abstract: In large-scale multi-agent systems with shared resource constraints, an upstream planner must iteratively evaluate candidate resource plans -- assessing feasibility, aggregate response, and marginal cost -- before committing to one. Lagrangian relaxation separates local decisions through a broadcast cost signal, but the planner still needs the cost-to-utilization response map to explore plan space, and this map depends on population composition that changes across planning cycles. We propose \emph{population-aware coordination interfaces}: learned primal and dual maps, conditioned on compact population summaries, that the planner queries inside its iterative loop. The primal map predicts aggregate utilization under a proposed cost trajectory; the dual map predicts the cost trajectory for a target plan. By encoding response-relevant population structure, these maps remain reliable across evolving populations without per-cycle retraining, and support coordination of large populations from compact subsamples. We additionally cast Sim2Real transfer as a backtestable procedure, enabling evaluation before deployment. In a supply-chain capacity-control case study, population-aware interfaces reduce forecast error by 16--19\% and capacity violations by 20--51\% relative to population-unaware baselines under composition shift; 20K-agent cohorts support accurate coordination of 500K-agent populations; and simulator-trained primal maps achieve 11.1\% MAPE on real observations versus 13--24\% for baselines.
Authors: Stuart Bladon, Brinnae Bent
Abstract: Brain encoder models predict cortical fMRI responses from the internal activations of pretrained vision and language networks, and are typically evaluated by held-out prediction accuracy. This is a useful signal for training but a poor one for interpretation: it tells us an encoder fits the data without telling us whether it has internalized the functional organization of the brain. We propose feature visualization -- gradient ascent on the encoder's predicted activation for a target region of interest (ROI) -- as a complementary interpretability technique, and apply it to TRIBE v2 composed with V-JEPA 2 (ViT-G, 40 layers), holding both frozen and synthesizing still images for seven regions spanning the ventral and dorsal visual hierarchies. Under identical hyperparameters, the probe recovers a visible progression of increasing spatial scale and feature complexity across V1 to V4, matching the ventral-stream hierarchy. It also produces three distinctive downstream regimes: radial "frozen-motion" streaks for the middle temporal area (MT) despite static-only optimization, face-like features for the fusiform face area (FFA), and consistent rectilinear line patterns for the parahippocampal place area (PPA). Optimized FFA stimuli drive the predicted region ~4x as much as a natural face photograph, consistent with feature visualization producing adversarial super-stimuli rather than canonical exemplars. The probe is simple, differentiable, and applicable to any brain encoder with a differentiable backbone, allowing for qualitative evaluation of brain encoders.
Authors: Jiajun Zhou, Wei Shao, Lingchao Zheng, Yuwei Fan, Ngai Wong
Abstract: Reinforcement learning (RL) for large language models (LLMs) is dominated by the cost of rollout generation, which has motivated the use of low-precision rollouts (e.g., FP8) paired with a BF16 trainer to improve throughput and reduce memory pressure. This introduces a rollout-training mismatch that biases the policy gradient and can cause training to collapse outright on reasoning benchmarks. We show that the mismatch is non-stationary and acts as a double-edged sword: early in training it provides a stochastic exploration bonus, exposing the gradient to trajectories the trainer would otherwise under-sample, but the same perturbation transitions into a destabilizing source of bias as the policy concentrates. To solve this, we propose Adaptive Importance Sampling (AIS), a correction framework that adjusts the strength of its intervention on a per-batch basis. AIS combines three real-time diagnostics, namely weight reliability, divergence severity, and variance amplification, into a single mixing coefficient that interpolates between the uncorrected and fully importance-weighted gradients, suppressing the destabilizing component of the mismatch while preserving its exploratory benefit. We integrate AIS into GRPO and evaluate it on the diffusion-based LLaDA-8B-Instruct and the autoregressive Qwen3-8B and Qwen3.5-9B across mathematical reasoning and planning benchmarks. AIS matches the BF16 baseline on most tasks while retaining the 1.5 to 2.76x rollout speedup of FP8.
Authors: Andrea Schioppa, Tim Salimans
Abstract: We present a covariance-aware sampler that improves the quality of pixel-space Diffusion Model (DM) sampling in the few-step regime. We hypothesize that in the few-step regime samplers fail because they rely solely on the predicted mean of the reverse distribution, while our solution explicitly models the reverse-process covariance. Our method combines Tweedie's formula to estimate the covariance with an efficient, structured Fourier-space decomposition of the covariance matrix. Implemented as an extension of DDIM, our method requires only a minimal overhead: one extra Jacobian-Vector Product (JVP) per step. We demonstrate that for pixel-based DMs, our method consistently produces superior samples compared to state-of-the-art second order samplers (Heun, DPM-Solver++) and the recent aDDIM sampler, at an identical number of function evaluations (NFE).
Authors: Hubert Leroux, Jean Marcus, Julien Roger
Abstract: Deep neural networks generalize well despite being heavily overparameterized, in apparent contradiction with classical learning theory based on uniform convergence over fixed hypothesis spaces. Uniform bounds over the entire parameter space are vacuous in this regime, and recent work has shown that non-vacuous guarantees can be recovered by restricting attention to the part of parameter space that the algorithm actually visits. This survey paper organizes this line of work around three steps: extending PAC-Bayesian theory to random, data-dependent hypothesis sets (arXiv:2404.17442); refining the complexity term with geometric and topological descriptors of the optimization trajectory, including fractal dimensions, alpha-weighted lifetime sums, and positive magnitude (arXiv:2006.09313, arXiv:2302.02766, arXiv:2407.08723); and replacing the resulting information-theoretic terms by stability assumptions (arXiv:2507.06775). We unify these contributions around a single template inequality and a head-to-head comparison of the resulting bounds.
Authors: Lingchao Zheng, Yuwei Fan, Jun Li, Chengqiu Hu, Qichen Liao, Junyi Fan, Rui Shi, Fangzheng Miao
Abstract: Quantization is essential for efficient large language model (LLM) inference, yet the dequantization step-converting low-bit weights back to high-precision for matrix multiplication has become a critical bottleneck on modern AI accelerators. On architectures with decoupled compute units (e.g., Ascend NPUs), dequantization operations can consume more cycles than the matrix multiplication itself, leaving the high-throughput tensor cores underutilized. This paper presents Multi-Scale Dequant (MSD), a quantization framework that removes weight/KV dequantization from the GEMM critical path. Instead of lifting low-bit weights to BF16 precision, MSD decomposes high-precision BF16 activations into multiple low-precision components, each of which can be multiplied directly with quantized weights via native hardware-accelerated GEMM. This approach shifts the computational paradigm from precision conversion to multi-scale approximation, avoiding INT8-to-BF16 weight conversion before GEMM. We instantiate MSD for two weight formats and derive tight error bounds for each. For INT8 weights (W4A16), two-pass INT8 decomposition achieves near 16 effective bits. For MXFP4 weights (W4A16), two-pass MXFP4 decomposition yields near 6.6 effective bits with error bound 1/64 per block surpassing single-pass MXFP8(5.24 bits) while maintaining the same effective GEMM compute time. We further derive closed-form latency and HBM traffic models showing that MSD avoids the Vector-Cube pipeline stall caused by dequantization and reduces KV cache HBM traffic by up to 2.5 times in attention. Numerical simulations on matrix multiplication and Flash Attention kernels confirm that MSD does not degrade accuracy compared to dequantization baselines, and in many settings achieves lower L2 error.
Authors: Qingyang Hao, Kongchang Zhou, Fang Kong, Hongxin Wei
Abstract: Online Multiple Testing (OMT), a fundamental pillar of sequential statistical inference, traditionally evaluates the False Discovery Rate (FDR) and statistical power in isolation, obscuring the highly asymmetric costs of false positives and false negatives in modern automated pipelines. To unify this evaluation, we introduce $\textit{Weighted Regret}$. Under this metric, we prove the $\textit{Duality of Regret Conservation}$: purely deterministic procedures ensuring strict FDR control inevitably incur an $\Omega(T)$ linear regret penalty, as threshold depletion during signal-sparse cold starts forces massive false negatives. Tailored for exogenous testing streams, we propose Decoupled-OMT (DOMT) as a baseline-agnostic meta-wrapper. By incorporating a history-decoupled, strictly non-negative random perturbation, DOMT rescues purely deterministic baselines from severe threshold depletion. Crucially, it preserves exact asymptotic safety in stationary environments and rigorously bounds finite-sample error inflation during cold-starts. Guaranteeing zero additional false negatives, it yields an order-optimal $\Omega(\sqrt{T})$ regret reduction in bursty environments, with a derived ``Cold-Start Tax'' characterizing the exact phase transition of algorithmic superiority. Experiments validate that DOMT consistently curtails empirical weighted regret, achieving an order-optimal sublinear mitigation of threshold depletion to navigate the non-stationary Pareto frontier.
Authors: Valliappan Chidambaram Adaikkappan, Vincent Martineau, Joshua Romoff, David Meger
Abstract: Automated game testing is important for verifying game functionality, but it remains a costly and time-consuming process. Manual testing often misses edge cases, and current automated methods struggle to provide full code coverage. Prior work has explored reinforcement learning (RL) for game testing, but without leveraging internal code signals such as the call stack. We present Code Aware Agent (CA2), which uses call stack information to learn effective testing strategies. The agent receives the current function call trace along with the game state and learns to reach specific target functions. We instrument two types of environments, 1) State-based and 2) Image-based, with support for efficient call stack extraction. Through experimental evaluation, we find that CA2 achieves consistent improvement over the non-code aware baselines, which does not leverage call stack information. Our results show that incorporating code signals like the call stack enables more effective and targeted game testing.
Authors: Kunil Lee, Ki-Young Shin, Jong-Hyeok Lee, Young-Joo Suh
Abstract: Multilingual knowledge editing (MKE) remains challenging because language-specific edits interfere with one another, even when locate-then-edit methods work well in monolingual settings. This paper focuses on three issues: the effectiveness of vector merging methods for MKE, the extent to which Task Singular Vectors for Merging (TSVM) can reduce multilingual interference, and the influence of the weight scaling factor and rank compression ratio on performance. We evaluate six merging variants with two popular backbone large language models, two base knowledge editing methods, and 12 languages on the MzsRE benchmark under a large-scale batch-editing setting. Our results show that vector summation with shared covariance is the most reliable overall strategy, whereas simple summation without shared covariance performs poorly. TSVM improves performance in some settings, but its ability to mitigate multilingual interference is limited. We also find that performance is sensitive to both weight scale and rank ratio, with larger-than-default scaling and relatively low rank often yielding better results. These findings clarify the practical strengths and limits of current vector merging methods for MKE and provide guidance for future multilingual knowledge editing research.
Authors: Iakovos-Christos Zarkadis, Christos Douligeris
Abstract: During the last few years, the term Mechanistic Interpretability, a specific area, under the umbrella of explainable artificial intelligence (XAI), has been introduced, to explain the decisions made by complex machine learning (ML) models in critical systems like UAV intrusion detection systems (UAVIDS). In this paper, we apply best-practices for data pre-processing and examine a wide range of tree-ensembles, deep neural networks, hybrid stacking models and the latest ensemble neural networks to detect intrusions in UAV, with stratified 10-fold cross validation. With our top-performing model, XGBoost, we proceed to Shapley Additive explanations (SHAP), to analyze the global and local feature importances and understand which features, each attack targets, to mimic normal traffic and where the misclassifications occur. Furthermore a distribution analysis follows, by visually comparing violin plots and the curves of kernel density estimations. With the Westfall-Young permutation test for multiple comparisons, the Bandwidth optimization of the KDEs and the selection of Jensen-Shannon Distance for the test, we discover the true causes of false predictions, observed in Wormhole and Blackhole attacks in UAVIDS-2025. The findings provide robust, reliable and explainable models for UAV intrusion detection, along with statistical insights, which capture and clarify the masked nature of the attacks, regarding the challenge of Density Support Intersection, between these attacks, in this dataset.
Authors: Natsuto Isogai, Hayata Yamasaki, Sho Sonoda, Mio Murao
Abstract: Quantum machine learning (QML) aims to accelerate machine learning tasks by exploiting quantum computation. Previous work studied a QML algorithm for selecting sparse subnetworks from large shallow neural networks. Instead of directly solving an optimization problem over a large-scale network, this algorithm constructs a sparse subnetwork by sampling hidden nodes from an optimized probability distribution defined using the ridgelet transform. The quantum algorithm performs this sampling in time $O(D)$ in the data dimension $D$, whereas a naive classical implementation relies on handling exponentially many candidate nodes and hence takes $\exp[O(D)]$ time. In this work, we construct and analyze a quantum-inspired fully classical algorithm for the same sampling task. We show that our algorithm runs in time $O(\operatorname{poly}(D))$, thereby removing the exponential dependence on $D$ from the previous classical approach. Numerical simulations show that the proposed sampler achieves empirical risk comparable to exact sampling from the optimized distribution and substantially lower than sampling from the non-optimized uniform distribution, while also exhibiting exponentially improved runtime scaling compared with the conventional classical implementation. These successful dequantization results show that sparse subnetwork selection via optimized sampling can be achieved classically with polynomial data-dimension scaling on conventional computers without quantum hardware, providing an alternative to the existing quantum algorithm.
Authors: Julia Sun, Zheyu Jin, Jiawei Zhang, Jeffrey D. Varner
Abstract: Generating realistic synthetic option prices requires implied volatility as an input, yet implied volatility is itself derived from observed option prices, creating a circular dependency that limits synthetic data for machine-learning and risk-analysis applications. We break this circularity with a pipeline in which implied volatility emerges as an output of a structural model of equity returns. A Jump Hidden Markov Model produces multi-asset price paths with realistic stylized facts and cross-asset tail dependence; a modified Heston variance process, whose mean-reversion target depends on regime state, days to expiration, moneyness, and a market-mood indicator, converts those paths into implied-volatility paths; and a recombining binomial lattice prices American options from the resulting surface. Initializing variance at its mean-reversion target for each strike-expiration pair lets smile, skew, and term structure emerge without external calibration. We calibrate the shape function through a hierarchy spanning a parametric baseline, a globally shared neural surrogate, and a sector-specific neural surrogate fit to a multi-ticker, multi-sector option ladder. A temporal holdout on a multi-day capture isolated scheduled corporate events as the dominant source of test-time generalization error, and calendar-derived earnings-distance and same-sector peer-coupling features recovered the anticipatory portion of that signal. We then apply the framework as a synthetic-data generator on real near-the-money put and call contracts, forward-simulating price paths, and recovering path-conditional implied volatility, finite-difference American Greeks, and terminal short-premium profit and loss from one coherent simulation, and confirm cross-ticker robustness by re-running on a second underlying from a different sector and volatility regime. The framework is released as an open-source Julia package.
Authors: Shuoyang Sun, Chang Da, Hao Fang, Kuofeng Gao, Xinhao Zhong, Yi Sun, Fan Mo, Shu-Tao Xia, Bin Chen
Abstract: Speculative decoding has become a widely adopted technique for accelerating large language model (LLM) inference by drafting multiple candidate tokens and verifying them with a target model in parallel. Its efficiency, however, critically depends on the average accepted length $\tau$, i.e., how many draft tokens survive each verification step. In this work, we identify a new mechanism-level vulnerability in model-based speculative decoding: the drafter is trained to approximate the target model distribution, but this approximation is inevitably imperfect. Such a drafter-target mismatch creates a hidden attack surface where small perturbations can preserve the target model's visible behavior while substantially reducing draft-token acceptability. We propose Mistletoe, a stealthy acceleration-collapse attack against speculative decoding. Mistletoe directly targets the acceptance mechanism of speculative decoding. It jointly optimizes a degradation objective that decreases drafter-target agreement and a semantic-preservation objective that constrains the target model's output distribution. To resolve the conflict between these objectives, we introduce a null-space projection mechanism, where degradation gradients are projected away from the local semantic-preserving direction, suppressing draft acceptance while minimizing semantic drift. Experiments on various speculative decoding systems show that Mistletoe substantially reduces average accepted length $\tau$, collapses speedup, and lowers averaged token throughput, while preserving output quality and perplexity. Our work highlights that speculative decoding introduces a mechanism-level attack surface beyond existing output robustness, calling for more robust designs of LLM acceleration systems.
Authors: Irene Aldridge
Abstract: Regret is the cost of uncertainty in algorithmic decision-making. Quantifying regret typically requires computationally expensive simulation via Sample Average Approximation (SAA), with complexity $\mathcal{O}(Bn^{2}d^{3})$ in the number of scenarios $B$, variables $n$, and constraints $d$. % This paper proves that expected regret in any stochastic optimization problem admits the exact decomposition % \begin{equation*} \mathrm{Regret}(c) = \mathrm{Cov}(c,\,\pi^{*}(c)) + R(c), \end{equation*} % where $c$ is the vector of uncertain parameters, $\pi^{*}(c)$ is the optimal decision, and $R(c)$ is a residual whose magnitude we bound explicitly under Lipschitz, smooth, and strongly convex conditions. % For linear programs and unconstrained quadratic programs, including the classical Markowitz portfolio problem, we prove $R(c)=0$ exactly, so that $\mathrm{Regret}(c) = \mathrm{Cov}(c,\pi^{*}(c))$ holds without approximation. % When historical cost-decision pairs $\{(c_i, \pi^*(c_i))\}$ are available, the covariance can be estimated in $\mathcal{O}(nd^{2})$ time, which is orders of magnitude faster than SAA. The estimation is performed by a single pass through the data. % We derive concentration bounds, a central limit theorem, and an asymptotically unbiased residual estimator, and we validate all results on synthetic LP, QP, and integer programming instances and on a rolling-window portfolio experiment using ten years of CRSP equity data.
Authors: Wuao Liu, Mustafa Chasmai, Subhransu Maji, Grant Van Horn
Abstract: Bioacoustic recognition requires fine-grained acoustic understanding to distinguish similar-sounding species. However, many large-scale data repositories such as iNaturalist are weakly annotated, often with only a single positive species label per recording, making supervised learning particularly challenging. Inspired by advances in computer vision, recent approaches have shifted toward self-supervised learning to capture the underlying structure of audio without relying on exhaustive annotations. In particular, masked autoencoders (MAE) have shown strong transferability on massive audio corpora, yet their effectiveness in more modest bioacoustic settings remains underexplored. In this work, we conduct a systematic study of MAE pretraining for species classification on iNatSounds, analyzing the impacts of pretraining data scale, domain specificity, data curation, and transfer strategies. Consistent with prior work, we find that models pretrained on diverse general audio data achieve the best transfer performance on iNatSounds. Contrary to observations from large-scale audio benchmarks, we find that (1) additional masked reconstruction pretraining on domain-specific data provides limited benefits and may even degrade performance relative to off-the-shelf models, and (2) selective data filtering offers a negligible advantage when the overall data scale is limited. Our results indicate that, in moderate-sized fine-grained bioacoustic settings, pretraining scale dominates objective design. These findings further clarify when MAE-based pretraining is effective and provide practical guidance for model selection under limited supervision.
Authors: David N. Olivieri, Roque J. Hern\'andez
Abstract: Scientific theory shift in AI agents requires more than fitting equations to data. An artificial scientific agent must detect whether an existing representational framework remains transportable into a new regime, or whether its language has become locally-to-globally obstructed and must be extended. This paper develops a finite sheaf-theoretic framework for detecting theory-shift candidates through transport and obstruction. Contexts are organized as a local-to-global structure in which source, overlap, target, and validation charts are fitted, restricted, and tested for gluing. Obstruction measures failure of coherence through residual fit, overlap incompatibility, constraint violation, limiting-relation failure, and representational cost. We evaluate the framework on a controlled transition-card benchmark designed to separate deformation within a source language from extension of that language. The main result is direct obstruction ranking: the intended deformation or extension is usually the lowest-obstruction candidate, and transition type is separated in the benchmark. A constellation kernel over the same signatures is included only as a secondary representational-similarity probe. The aim is not to reconstruct historical paradigm shifts or solve open-ended autonomous theory invention, but to isolate a finite diagnostic subproblem for AI agents: detecting when representational transport fails and extension becomes the coherent next move.
Authors: Leslie G. Valiant
Abstract: In current Large Language Models we can trust the production of smoothly flowing prose on the basis of the principles of machine learning. However, there is no comparably principled basis to justify trust in the content of the text produced. It appears to be conventional wisdom that addressing this issue by adding more principled reasoning is not computationally affordable. Here we propose a principled method of reasoning that is efficient enough to be practical for large language models. Further, the method allows the retention of much of the currently used software and hardware base. Our method for improving the functioning of large language models consists of a first stage of preprocessing that recodes the data to a Unary Relational Integracode that is more explicit about the relationships among the objects described in the text, followed as a second stage by a standard but possibly streamlined machine learning process that then also learns to predict these relationships. The method may be viewed as realizing a world model and applying beyond natural language, to vision and actions, for example, where the multiple properties of an object referred to in an input are brought together explicitly, rather than remaining distributed in the various references to it in the input. We articulate its advantages in terms of Robust Logic, a system for performing principled chaining on learned, and hence uncertain, information. We show that this recoding has the surprising and fortuitous property that, while succinct, it makes the task of learning a core subset of relational rules that hold in the world described in the training data polynomial time learnable in a defined sense, the polynomial depending on the complexity of the rule. This gives support for sound reasoning within each single call of the learned classifier as well as between multiple calls.
Authors: Yongkai Chen, Wenxuan Zhong, Ping Ma
Abstract: Deep learning excels at prediction but often lacks finite-sample guarantees and calibrated uncertainty; RKHS (Reproducing Kernel Hilbert Space)-based methods provide those guarantees but struggle to adapt in high dimensions. We propose Wahkon, a deep RKHS superposition network that unifies Kolmogorov's superposition principle with RKHS regularization in the smoothing-spline tradition of Wahba. This yields a finite-dimensional deep representer theorem that makes training tractable and provides explicit layerwise complexity control. We show the penalized estimator is exactly the MAP (maximum a posteriori) estimate under a hierarchical Gaussian-process prior, extending the spline/GP duality to deep compositions. Using metric-entropy arguments, we establish minimax-optimal convergence rates under mild smoothness and clarify how depth and width trade off with regularity. Empirically, Wahkon outperforms multilayer perceptrons, Neural Tangent Kernels, and Kolmogorov--Arnold Networks across simulation benchmarks and a single-cell CITE-seq study. By unifying Kolmogorov's superposition principle with RKHS regularization, Wahkon delivers accuracy, interpretability, and statistical rigor in a single framework.
Authors: Leo Milecki, Qingyu Hu, Bahram Jafrasteh, Mert R. Sabuncu, Qingyu Zhao
Abstract: Masked autoencoders (MAEs) have recently shown promise for self-supervised representation learning of resting-state brain functional connectivity (FC). However, a fundamental question remains unresolved: how should FC matrices be tokenized to align with the intrinsic modular organization of large-scale brain networks? Existing approaches typically adopt region-centric or graph-based schemes that treat FC as structurally homogeneous elements and overlook the large-scale network brain organization. We introduce NERVE (Network-Aware Representations of Brain Functional Connectivity via Bilinear Tokenization), a self-supervised learning framework that redefines FC tokenization by partitioning FC matrices into patches of intra- and inter-network connectivity blocks. Unlike image-based MAE, where fixed-size patches share a common tokenizer, FC patches defined by network pairs are heterogeneous in size and correspond to distinct functional roles. To resolve this problem, NERVE embeds FC patches through a novel structured bilinear factorization. This formulation preserves network identity and reduces parameter complexity from quadratic to linear scaling in the number of networks. We evaluate NERVE across three large-scale developmental cohorts (ABCD, PNC, and CCNP) for behavior and psychopathology prediction. Compared to structurally agnostic MAE variants and graph-based self-supervised baselines, the proposed network-aware formulation yields more stable and transferable representations, particularly in cross-cohort evaluation. Ablation studies confirm that the proposed bilinear network embedding and anatomically grounded parcellation are critical for performance. These findings highlight the importance of incorporating domain-specific structural priors into self-supervised learning for functional connectomics.
Authors: Nilay Patel, Noah Arias, Davit Babayan, Victoria Cochran, Timothy Libman, Hafsah Mahmood, Liam McCarty, Soli Munoz, Laurel Willey, Jeffrey Flanigan
Abstract: Current autoformalization benchmarks are largely focused on olympiad or undergraduate mathematics, while graduate and research-level mathematics remains underexplored. In this paper, we introduce MathAtlas, the first large-scale autoformalization benchmark of in the wild graduate-level mathematics, containing ~52k theorems, definitions, exercises, examples, and proofs extracted from 103 graduate mathematics textbooks. MathAtlas is enriched with a mathematical dependency graph containing ~178k relations, and is the first autoformalization benchmark to include such relations, facilitating evaluation and development of dependency-aware autoformalization systems. Our extensive experiments show that MathAtlas is high quality but extremely challenging: strong baselines achieve at most 9.8% correctness on theorem statements and 16.7% on definitions. Furthermore, we find performance of state-of-the-art models degrades substantially with dependency depth: on MA-Hard, a subset of 700 entities with the deepest dependency trees, the best model achieves only 2.6% correctness for autoformalization on this challenging dataset. We release MathAtlas to the community as a benchmark set for large-scale autoformalization of graduate-level mathematics in the wild.
Authors: Amirreza Mohseni, Mona Mohammadi, Morteza Saghafian, Naser Talebizadeh Saradari
Abstract: We introduce CurveBench, a benchmark for hierarchical topological reasoning from visual input. CurveBench consists of \textbf{756 images} of pairwise non-intersecting Jordan curves across easy, polygonal, topographic-inspired, maze-like, and dense counting configurations. Each image is annotated with a rooted tree encoding the containment relations between planar regions. We formulate the task as structured prediction: given an image, a model must recover the full rooted containment tree induced by the curves. Despite the visual simplicity of the task, the strongest evaluated model, Gemini 3.1 Pro, achieves only \textbf{71.1\%} tree-generation accuracy on CurveBench-Easy and \textbf{19.1\%} on CurveBench-Hard. We further demonstrate benchmark utility through RLVR-style fine-tuning of open-weight vision-language models. Our trained Qwen3-VL-8B model improves over \texttt{Qwen-3-VL-8B-Thinking} from \textbf{2.8\%} to \textbf{33.3\%} tree-generation accuracy on CurveBench-Easy, exceeding GPT-5.4 and Claude Opus 4.5 under our evaluation protocol. The remaining gap, especially on CurveBench-Hard, shows that exact topology-aware visual reasoning remains far from solved.
Authors: Mokshit Surana, Archit Rathod, Akshaj Satishkumar
Abstract: Large Language Models (LLMs), when trained on web-scale corpora, inherently absorb toxic patterns from their training data. This leads to ``toxic degeneration'' where even innocuous prompts can trigger harmful outputs. This phenomenon poses significant risks for real-world deployments. Thus, necessitating effective mitigation strategies that should maintain model utility while ensuring safety. In this comprehensive replication study, we evaluate the efficacy of \textbf{DExperts} (Decoding-time Experts), which is an inference-time mitigation technique that steers generation without requiring model retraining. We structured our research into three systematic phases: (1) establishing baseline toxicity measurements using \textbf{RealToxicityPrompts} on standard GPT-2 models; then (2) implementing and evaluating DExperts to mitigate explicit toxicity; and finally (3) stress-testing the method against implicit hate speech using the adversarial \textbf{ToxiGen} dataset. Our empirical results confirm that while DExperts achieves near-perfect safety rates (100\%) on explicit toxicity benchmarks, it exhibits brittleness against adversarial, implicit hate speech, with safety rates dropping to 98.5\%. Furthermore, we quantify a critical trade-off. The method introduces a $\sim$10x latency penalty (from 0.2s to 2.0s per generation), posing challenges for real-time deployment scenarios. This study contributes to the growing body of work on AI safety by highlighting the robustness gap between explicit and implicit toxicity mitigation. We emphasize the need for more sophisticated approaches that generalize across diverse hate speech patterns without prohibitive computational costs.
Authors: Ana Dodik, Moira Weigel
Abstract: We put forth a critical theoretical framework for analyzing generative models both descriptively and normatively. Our thesis is that generative models automate the production not only of intellectual labor or intelligence, but of a broader set of human social capacities we name "social doing." We do this by historicizing the commodification of sociality in the digital economy, leading to the availability of social data as the precondition for generative models. We elaborate our definition of "social doing" by drawing a distinction between "use" and "exchange" sociality and further differentiate between the ways that generative models either substitute for or mediate existing social relations and processes. We then turn to existing empirical research on how people use generative model-based products and the effects that their use has upon them. In this, we introduce the concept of Synthetic Sociality, a social reality in part fabricated by Silicon Valley's privately owned and undemocratically governed generative models. Lastly, we offer a normative analysis based on our findings and framework, and discuss future design opportunities.
Authors: Yu Gu, Zijun Yu, Vahid Partovi Nia, Masoud Asgharian
Abstract: Chain-of-thought (CoT) reasoning with self-consistency improves performance by aggregating multiple sampled reasoning paths. In this setting, correctness is no longer tied to a single reasoning trace but to the aggregation rule over a pool of candidate paths, making aggregation uncertainty the central challenge. This issue is critical where confidently incorrect answers are far more costly than abstentions. We introduce a conformal procedure for CoT reasoning that directly addresses aggregation uncertainty. Our approach replaces majority voting with weighted score aggregation over reasoning paths and calibrates an abstention rule using conformal risk control. This approach leads to finite-sample guarantees on the confident-error rate--the probability that the system answers and is wrong. We further identify score separability as the key condition under which abstention provably improves selective accuracy, and derive closed-form expressions that predict accuracy gains from calibration data alone. The method is fully inference-time, and requires no retraining. Across four benchmarks, four open-source models, and three score classes, realized confident-error rates are consistent with the prescribed targets up to calibration-split and test-set variability. Our method achieves $90.1\%$ selective accuracy on GSM8K by abstaining on less than $5\%$ of problems, compared with $82\%$ accuracy under majority-voting baseline.
Authors: Nishi Doshi, Shrey Shah
Abstract: Diabetic Retinopathy (DR) is one of the leading causes of preventable blindness, yet rural regions often lack the specialists and infrastructure needed for early detection. Although cloud-based deep learning systems offer high accuracy, they face significant challenges in these settings due to high latency, limited bandwidth, and high data transmission costs. To address these challenges, we propose a two-tier edge-cloud cascade on the public APTOS 2019 Blindness Detection dataset. Tier 1 runs a lightweight MobileNetV3-small model on a local clinic device to perform a binary triage between Referable DR (Classes 2-4) and Non-referable DR (Classes 0-1). Tier 2 runs a RETFoundDINOv2 model in the cloud for ordinal severity grading, but only on the subset of images flagged as referable by Tier 1. On a stratified APTOS test split of 733 images, Tier 1 reaches 98.99% sensitivity and 84.37% specificity at a validation-tuned high-sensitivity threshold. The default cascade forwards 49.52% of test images to Tier 2, reducing cloud calls by 50.48% relative to using a cloud-based model for all images. In the deployed 4-class output space (Class 0-1 / Class 2 / Class 3 / Class 4), the cascade obtains 80.49% accuracy and 0.8167 quadratic weighted kappa; the cloud-only baseline obtains 80.76% accuracy and 0.8184 quadratic weighted kappa. On APTOS, the cascade cuts cloud use by about half with a modest drop in grading performance. Index Terms: Diabetic Retinopathy, Edge-Cloud Cascade, MobileNetV3-small, RETFound-DINOv2, Retinal Screening, tele-ophthalmology
Authors: Alvaro Lopez Pellicer, Plamen Angelov, Marwan Bukhari, Yi Li, Eduardo Soares, Jemma Kerns
Abstract: While interpretable prototype networks offer compelling case-based reasoning for clinical diagnostics, their raw continuous outputs lack the semantic structure required for medical documentation. Bridging this gap via standard Retrieval-Augmented Generation (RAG) routinely triggers ``retrieval sycophancy,'' where Large Language Models (LLMs) hallucinate post-hoc rationalizations to align with visual predictions. We introduce ProtoMedAgent, a framework that formalizes multimodal clinical reporting as an iterative, zero-gradient test-time optimization problem over a strict neuro-symbolic bottleneck. Operating on a frozen prototype backbone, we distill latent visual and tabular features into a discrete semantic memory. Online generation is strictly constrained by exact set-theoretic differentials and a reflective Scribe-Critic loop, mathematically precluding unsupported narrative claims. To safely bound data disclosure, we introduce a semantic privacy gate governed by $k$-anonymity and $\ell$-diversity. Evaluated on a 4,160-patient clinical cohort, ProtoMedAgent achieves 91.2\% Comparison Set Faithfulness where it fundamentally outperforms standard RAG (46.2\%). ProtoMedAgent additionally leverages a binding $\ell$-diversity phase transition to systematically reduce artifact-level membership inference risks by an absolute 9.8\%.
Authors: Ayoub Belhadji, Daniel Sharp, Youssef M. Marzouk
Abstract: Integration against a probability distribution given its unnormalized density is a central task in Bayesian inference and other fields. We introduce new methods for approximating such expectations with a small set of weighted samples -- i.e., a quadrature rule -- constructed via an interacting particle system that minimizes maximum mean discrepancy (MMD) to the target distribution. These methods extend the classical mean shift algorithm, as well as recent algorithms for optimal quantization of empirical distributions, to the case of continuous distributions. Crucially, our approach creates dynamics for MMD minimization that are invariant to the unknown normalizing constant; they also admit both gradient-free and gradient-informed implementations. The resulting mean shift interacting particle systems converge quickly, capture anisotropy and multi-modality, avoid mode collapse, and scale to high dimensions. We demonstrate their performance on a wide range of benchmark sampling problems, including multi-modal mixtures, Bayesian hierarchical models, PDE-constrained inverse problems, and beyond.
Authors: Sara Ahmadian, Edith Cohen, Mohammad Roghani
Abstract: The classic online stochastic matching problem typically requires immediate and irrevocable matching decisions. However, in many modern decentralized systems such as real-time ride-hailing and distributed cloud computing, the primary bottleneck is often local communication bandwidth rather than the timing of the match itself. We formalize this challenge by introducing a two-stage local sparsification framework. In this setting, arriving requests must prune their realized compatibility sets to a strict budget of $k$ edges before a central coordinator optimizes the global matching. This creates a "middle ground" between local information constraints and global optimization utility. We propose a local selection strategy, parametrized by a fractional solution of the expected instance. Theoretically, we quantify the approximation ratio as a function of the solution's {\em spread}. We prove that under sufficient spread, our sparsifier globally preserves the expected size of the maximum matching. Empirically, we demonstrate the robustness of our approach using the New York City ride-hailing datasets and adversarial synthetic benchmarks. Our results show that near-optimal global matching is achievable even with highly constrained local budgets, significantly outperforming standard online baselines.
Authors: Benjamin Schneider, Xavier Schneider, Victor Zhong, Sun Sun
Abstract: Long-horizon embodied tasks remain a fundamental challenge in AI, as current methods rely on hand-engineered rewards or action-labeled demonstrations, neither of which scales. We introduce ASH, an agentic system that learns an embodied policy from unlabeled, noisy internet video, without reward shaping or expert annotation. ASH follows a self-improvement loop; when it gets stuck, ASH learns an Inverse Dynamics Model (IDM) from its own trajectories, and uses its IDM to extract supervision from relevant internet video. ASH uses unsupervised learning to identify key moments from large-scale internet video and retains them as long-term memory -- allowing it to tackle long-horizon problems. We evaluate ASH on two complementary environments demanding multi-hour planning: Pokemon Emerald, a turn-based RPG, and The Legend of Zelda: The Minish Cap, a real-time action-adventure game. In both games, behavioral cloning, retrieval-augmented and zero-shot foundation-model baselines plateau, while ASH sustains progression across our 8-hour evaluation. ASH reaches an average of $11.2/12$ milestones in Pokemon Emerald and $9.9/12$ in Legend of Zelda, while the strongest baseline gets stuck in both environments at an average of $6.5/12$ and $6.0/12$ milestones, respectively. We demonstrate that self-improving agents are a scalable recipe for long-horizon embodied learning.
Authors: Noah Flynn
Abstract: Genetic circuit design remains a laborious, expert-driven process despite decades of progress in synthetic biology. We study this problem through code generation: models produce Python code in pysbol3 to construct genetic circuits in the Synthetic Biology Open Language (SBOL), a formal representation that supports automated verification. We introduce GenCircuit-RL, a reinforcement learning framework built around hierarchical verification rewards that decompose correctness into five levels, from code execution to task-specific topological checks, and a four-stage curriculum that shifts optimization pressure from code generation to functional reasoning. We also introduce SynBio-Reason, a benchmark of 4,753 circuits spanning six canonical circuit types and nine tasks from code repair to de novo design, with held-out biological parts for out-of-distribution evaluation. Hierarchical verification improves task success on functional reasoning tasks by 14 to 16 percentage points over binary rewards, and curriculum learning is required for strong design performance. The resulting models generate topologically correct circuits, generalize to novel biological parts, and rediscover canonical designs from the synthetic biology literature.
Authors: Gloria Fern\'andez-Nieto, Kiyoshige Garc\'es, Mladen Rakovi\'c, Tongguang Li, Xinyu Li, Linxuan Zhao, Dragan Ga\v{s}evi\'c
Abstract: Background: Abilities for effective self-regulated learning (SRL) are critical for lifelong learning, particularly during adolescence when these skills consolidate and strongly influence future learning. Their importance has grown with the rise of online and blended education. Yet, little is known about how secondary school students self-regulate in online environments, how their SRL processes and strategies evolve, or how they affect outcomes. In secondary education, understanding these processes can reveal patterns and indicators of learning success, informing the design of online support mechanisms. Evidence from repeated-measures designs remains scarce. Objectives: This study aims to examine how secondary school students enact SRL strategies during online essay writing, how these strategies change over time, and how they relate to learning outcomes. Methods: We analysed metacognition-related trace data collected from secondary students during a two-wave online essay-writing task conducted one week apart in two Colombian schools (N = 93 for session 1, N = 95 for session 2) via a digital learning platform. Using a combination of process mining and unsupervised machine learning techniques, we identified dominant SRL strategies grounded in established SRL processes and examined their stability and association with learning outcomes. Results and conclusions: Three dominant SRL strategies were identified. Results showed variability: many students remained in or shifted to Read first, write next, while none used Write intensively, read selectively in session 2. Although less common, latter strategy was positively associated with learning outcomes.
Authors: Harry Robertshaw, Yanghe Hao, Weiyuan Deng, Benjamin Jackson, S. M. Hadi Sadati, Nikola Fischer, Tom Vercauteren, Alejandro Granados, Thomas C. Booth
Abstract: Purpose: Mechanical thrombectomy (MT) improves stroke outcomes, but is limited by a lack of local treatment access. Widespread distribution of reinforcement learning (RL)-based robotic systems can be used to alleviate this challenge through autonomous navigation, but current RL methods require live device tip coordinate tracking to function. This paper aims to develop and evaluate a real-time catheter tip tracking pipeline under fluoroscopy, addressing challenges such as low contrast, noise, and device occlusion. Methods: A multi-threaded pipeline was designed, incorporating frame reading, preprocessing, inference, and post-processing. Deep learning segmentation models, including U-Net, U-Net+Transformer, and SegFormer, were trained and benchmarked using two-class and three-class formulations. Post-processing involved two-step component filtering, one-pixel medial skeletonization, and greedy arc-length path following with contour fall-back. Results: On manually-labeled moderate complexity fluoroscopic video data, the two-class SegFormer achieved a mean absolute error of 4.44 mm, outperforming U-Net (4.60 mm), U-Net+Transformer (6.20 mm) and all three-class models (5.19-7.74 mm). On segmentation benchmarks, the system exceeded state-of-the-art CathAction results with improvements of up to +5% in Dice scores for three-segmentation. Conclusion: The results demonstrate that the proposed multi-threaded tracking framework maintains stable performance under challenging imaging conditions, outperforming prior benchmarks, while providing a reliable and efficient foundation for RL-based autonomous MT navigation.
Authors: Ziang Gao, Pengqi Liu, Archer Yi Yang, Mouloud Belbahri, Jesse C. Cresswell, Masoud Asgharian
Abstract: Conformal prediction is often calibrated with a single pooled threshold, but this can hide cross-group heterogeneity in score distributions and distort group-wise coverage. We study this phenomenon through the population score distributions underlying split conformal calibration. First, we derive a conservation law and lower bound showing that pooled calibration incurs irreducible group-wise coverage distortion at a scale set by cross-group quantile heterogeneity. Second, we demonstrate that the two leading fairness definitions for conformal prediction, Equalized Coverage and Equalized Set Size, are fundamentally in tension. Third, we quantify the cost of moving between policies which treat groups separately or pool them. Experiments on synthetic and real data confirm the same bidirectional trade-off after finite-sample calibration. Our results show that, for the policy families studied here, calibration choice does not remove cross-group heterogeneity; it determines whether the resulting distortion appears in the coverage or size dimension, providing a principled lens for analyzing fairness-oriented calibration choices in practice.
Authors: Zhenyu Yao, Daniel Paulin
Abstract: Diffusion models generate samples by denoising along the score of a perturbed target distribution. In practice, one trains a neural diffusion model, which is computationally expensive. Recent work suggests that score matching implicitly smooths the empirical score, and that this smoothing bias promotes generalization by capturing low-dimensional data geometry. We propose moment-matched score-smoothed overdamped Langevin dynamics (MM-SOLD), a training-free interacting particle sampler that enforces the target moments throughout the sampling trajectory. We prove that, in the large-particle limit, the empirical particle density converges to a deterministic limit whose one-particle stationary marginal is a Gibbs--Boltzmann density obtained by exponentially tilting a naive score-smoothed diffusion target. The mean and covariance of this distribution agree with the empirical moments of the training data. Experiments on 2D distributions and latent-space image generation show that MM-SOLD enables fast, robust, training-free sampling on CPUs, with sample fidelity and diversity competitive with neural diffusion baselines.
Authors: Yixuan Jia, Siyi Chen, Yida Pan, Xiao Li, Lianghe Shi, Chanyong Jung, Haijie Yuan, Ismail Alkhouri, Yue Cynthia Wu, Saiprasad Ravishankar, Jeffrey A Fessler, Qing Qu
Abstract: Data assimilation (DA) estimates the state of an evolving dynamical system from noisy, partial observations, and is widely used in scientific simulation as well as weather and climate science. In practice, filtering methods rely on frame-to-frame transition models. However, these models are fragile when observations are non-Markovian (when they form only a partial slice of a higher-dimensional latent state as in real-world weather data): they tend to accumulate errors over long horizons. At the same time, learned DA methods typically commit to a single regime, either filtering (nowcasting, real-time forecasting) or smoothing (retrospective reanalysis), which splits what should be a shared prior across application-specific pipelines. To address both issues, we introduce ForcingDAS, a unified and robust DA framework. Built on Diffusion Forcing with an independent noise level assigned to each frame, ForcingDAS learns a joint-trajectory prior instead of frame-to-frame transitions. This allows it to capture long-horizon temporal dependencies and reduce error accumulation. In addition, the same trained model spans the full filtering to smoothing spectrum at inference time. Specifically, nowcasting, fixed-lag smoothing, and batch reanalysis are selected through the inference schedule alone, without retraining. We evaluate ForcingDAS on 2D Navier-Stokes vorticity, precipitation nowcasting, and global atmospheric state estimation. Across all settings, a single model is competitive with or outperforms both learned and classical baselines that are specialized for individual regimes, with the largest gains observed on real-world weather benchmarks.
Authors: Chengshuai Zhao, Zhen Tan, Dawei Li, Zhiyuan Yu, Huan Liu
Abstract: The rapid advancement of Large Vision-Language Models (LVLMs) is increasingly accompanied by unauthorized scraping and training on multimodal web data, posing severe copyright and privacy risks to data owners. Existing countermeasures, such as machine unlearning and watermarks, are inherent post-hoc approaches that act only after intellectual property infringement has already occurred. In this work, we propose MMGuard to empower data owners to proactively protect their multimodal data against unauthorized LVLM fine-tuning. MMGuard generates unlearnable examples by injecting human-imperceptible perturbations that actively exploit the learning dynamics of LVLMs. By minimizing the training loss, the perturbation creates an optimization shortcut, causing the model to overfit to the noise and thereby degrading downstream performance when the perturbation is absent during inference. To further strengthen this defense, MMGuard introduces a cross-modal binding disruption, strategically shifting LVLM attention to enforce a spurious correlation between the noise and the training target with theoretical guarantees. Enhanced by an ensemble learning strategy for cross-model transferability, MMGuard is evaluated against nine open-source LVLMs across six datasets. Our comprehensive results demonstrate effective, stealthy, and robust protection under white-box, gray-box, and black-box threat models, establishing a mechanistic advantage in proactively defending against aggressive fine-tuning exploitation.
Authors: Hengjie Liu, Zhenya Zhang, Jianjun Zhao
Abstract: Formal verification of transformers has become increasingly important due to their widespread deployment in safety-critical applications. Compared to classic neural networks, the inferences of transformers involve highly complex computations, such as dot products in self-attention layers, rendering their verification extremely difficult. Existing approaches explored over-approximation methods by constructing convex constraints to bound the output ranges of transformers, which can achieve high efficiency. However, they may sacrifice verification precision, and consequently introduce significant approximation error that leads to frequent occurrences of false alarms. In this paper, we propose a transformer verification approach that can achieve improved precision. At the core of our approach is a novel usage of ReLU, by which we represent a precise but non-linear bound for dot products such that we can further exploit the rich body of literature for convex relaxation of ReLU to derive precise bounds. We extend two classic approaches to the context of transformers, a rule-based one and an optimization-based one, resulting in two new frameworks for efficient and precise verification. We evaluate our approaches on different model architectures and robustness properties derived from two datasets about sentiment analysis, and compare with the state-of-the-art baseline approach. Compared to the baseline, our approach can achieve significant precision improvement for most of the verification tasks with acceptable compromise of efficiency, which demonstrates the effectiveness of our approach.
Authors: Shen Lin, Jing Lin, Junhao Dong, Piotr Koniusz, Li Xu
Abstract: Machine unlearning in Vision-Language Models (VLMs) is typically performed at the image or instance level, making it difficult to precisely remove target knowledge without affecting unrelated semantics. This issue is especially pronounced since a single image often contains multiple entangled concepts, including both target concepts to be forgotten and contextual information that should be preserved. In this paper, we propose an interpretable concept-level unlearning framework for VLMs, which constructs a compact task-specific concept vocabulary from the forgetting set using a multimodal large language model. In addition to modality alignment, visual representations are decomposed into sparse, nonnegative combinations of semantic concepts, providing an explicit interface for fine-grained knowledge manipulation. Based on this decomposition, our method formulates unlearning as concept-level optimization, where target concepts are selectively suppressed while intra-instance non-target semantics and global cross-modal knowledge are preserved. Extensive experiments across both in-domain and out-of-domain forgetting settings demonstrate that our method enables more comprehensive target forgetting, better preserves non-target knowledge within the same image, and maintains competitive model utility compared with existing VLM unlearning methods.
Authors: Emilio Mastriani, Alessandro Costa, Federico Incardona, Kevin Munari, Sebastiano Spinello
Abstract: Predictive maintenance in complex systems is often complicated by the heterogeneity and redundancy of monitored variables,which can obscure fault-relevant information and reduce model interpretability. This work proposes a semantic feature segmentation framework that decomposes the monitored feature space into a canonical component,expected to retain the dominant predictive information, and a residual component containing structurally peripheral signals. The segmentation is defined through domain informed criteria and sets up monitoring variables into functional groups reflecting operational mechanisms such as throughput,latency,pressure,network activity,and structural state. To evaluate the effectiveness of this decomposition, we adopt a predictive perspective in which expected predictive risk is used as an operational proxy for task-relevant information. Experimental results obtained through time-aware cross-validation show that the canonical space consistently achieves lower predictive risk than the residual space across multiple temporal configurations, indicating that the semantic segmentation concentrates the most relevant information for fault anticipation. In addition, the canonical segments exhibit significantly stronger intra-segment coherence than inter-segment dependence, and this structural organization remains stable after redundancy reduction. When compared with the full feature space and with a Principal Component Analysis (PCA) representation, the canonical space carries out comparable predictive performance and furthermore preserves the semantic meaning of the original variables. These findings suggest that semantic feature segmentation provides an interpretable and information-preserving decomposition of monitoring signals, enabling competitive predictive performance without sacrificing the operational interpretability required in predictive maintenance applications.
Authors: Wentao Yu, Vincent W. S. Wong
Abstract: Modern edge devices increasingly rely on neural networks for intelligent applications. However, conventional digital computing-based edge inference requires substantial memory and energy consumption. In analog radio frequency (RF) computing, a base station (BS) encodes the weights of the neural networks and broadcasts the RF waveforms to the clients. Each client reuses its passive mixer to multiply the received weight-encoded waveform with a locally generated input-encoded waveform. This enables wireless receivers to perform the matrix-vector multiplications (MVMs) that account for most of the computation burden in edge inference with ultra-low energy consumption. Unlike conventional downlink transmissions which are optimized for communications, analog RF computing requires a computing-centric physical layer that controls both the analog MVM accuracy and the energy consumption for inference. Motivated by this, in this paper, we propose a physical layer design framework for analog RF computing in MU-MIMO wireless systems. We derive tractable models for computing accuracy and energy consumption for inference, formulate a joint BS beamforming and client-side scaling problem subject to computing accuracy, transmit power, and hardware constraints, and develop a low-complexity algorithm to solve the non-convex problem. The proposed design provides client- and layer-specific accuracy control for both uniform- and mixed-precision inference. Simulations under 3GPP specifications show that analog RF computing can significantly reduce client-side energy consumption by nearly two orders of magnitude compared to digital computing, while mixed-precision inference requires even lower energy consumption than uniform-precision inference. Overall, these results establish analog RF computing over wireless networks as a promising paradigm for energy-efficient edge inference.
Authors: Rajiv Singh, Mario Sznaier, Lennart Ljung
Abstract: We present a physics-informed framework for system identification based on randomized stable atomic features. Impulse responses are represented as random superpositions of stable atoms, namely damped complex exponentials associated with poles sampled inside a prescribed disk. Identification is then cast as a convex regularized least-squares problem with optional linear, second-order-cone, and KYP constraints. The approach generalizes random Fourier and random Laplace features to the damped, nonstationary regime relevant to engineering systems while retaining modal interpretability and scalable finite-dimensional computation. The main analytic point is an operator-theoretic Disk-Bochner viewpoint: positive measures over stable poles generate positive-definite kernels with a radius-dependent shift defect, while a converse scalar disk moment representation for an arbitrary kernel is characterized by subnormality of the canonical shift. We prove this statement, establish an RKHS-to-l1 embedding, show that sampled poles induce a valid finite atomic gauge, discuss random-feature convergence, and state sparse-recovery guarantees conditionally on the restricted-eigenvalue properties of the realized disk-Vandermonde or input-output design matrix. We also connect the normalized transfer function problem to Nevanlinna-Pick interpolation and LFT set-membership. The framework directly encodes stability margins, modal localization, DC-gain bounds, monotonicity, passivity, relative degree, settling-time targets, and time/frequency-domain error bounds. Numerical comparisons illustrate how physically meaningful priors can compensate for poor excitation and improve constrained impulse-response recovery in an under-informative data setting.
Authors: Sanjoy Chowdhury, Dinesh Manocha
Abstract: Language models often generate long chain-of-thought traces, but it remains unclear how much of this reasoning is necessary for preserving the final prediction. We study this through the lens of overcomplete reasoning traces: generated traces that contain more intermediate steps than are needed to support the model's answer. We define the minimal core as the smallest subset of steps that preserves either the final answer or predictive distribution, and introduce metrics for compression ratio, redundancy mass, step necessity, and necessity concentration. Across six deliberative reasoning benchmarks spanning arithmetic, competition mathematics, expert scientific reasoning, and commonsense multi-hop QA, we find substantial overcompleteness: on average, 46% of steps are removable under greedy minimal-core extraction while preserving the original answer in 86% of cases. We also find that predictive support is concentrated: the top three steps account for 65% of measured necessity mass on average. Beyond compression, minimal cores expose a cleaner geometry of reasoning: compared with full traces, they improve correct-incorrect trace separation by 11 points, reduce estimated intrinsic dimensionality by 34%, and transfer across model families with 85% off-diagonal answer retention. Theoretically, we establish existence of minimal sufficient subsets, local irreducibility guarantees for greedy elimination, and certificates of overcompleteness and sparse necessity. Together, these results suggest that full reasoning traces are often verbose and overcomplete, while minimal cores isolate the effective support underlying language-model predictions.
Authors: Zeli Su, Ziyin Zhang, Zhou Liu, Xuexian Song, Zhankai Xu, Longfei Zheng, Xiaolu Zhang, Rong Fu, Guixian Xu, Wentao Zhang
Abstract: Extending large language models (LLMs) to low-resource languages often incurs an "alignment tax": improvements in the target language come at the cost of catastrophic forgetting in general capabilities. We argue that this trade-off arises from the rigidity of supervised fine-tuning (SFT), which enforces token-level surface imitation on narrow and biased data distributions. To address this limitation, we propose a semantic-space alignment paradigm powered by Group Relative Policy Optimization (GRPO), where the model is optimized using embedding-level semantic rewards rather than likelihood maximization. This objective encourages meaning preservation through flexible realizations, enabling controlled updates that reduce destructive interference with pretrained knowledge. We evaluate our approach on Tibetan-Chinese machine translation and Tibetan headline generation. Experiments show that our method acquires low-resource capabilities while markedly mitigating alignment tax, preserving general competence more effectively than SFT. Despite producing less rigid surface overlap, semantic RL yields higher semantic quality and preference in open-ended generation, and few-shot transfer results indicate that it learns more transferable and robust representations under limited supervision. Overall, our study demonstrates that reinforcement learning with semantic rewards provides a safer and more reliable pathway for inclusive low-resource language expansion.
Authors: Sarkar Snigdha Sarathi Das, Palash Goyal, Mihir Parmar, Nanyun Peng, Vishy Tirumalashetty, Chun-Liang Li, Rui Zhang, Jinsung Yoon, Tomas Pfister
Abstract: Time series forecasting is not just numerical extrapolation, but often requires reasoning with unstructured contextual data such as news or events. While specialized Time Series Foundation Models (TSFMs) excel at forecasting based on numerical patterns, they remain unaware to real-world textual signals. Conversely, while LLMs are emerging as zero-shot forecasters, their performance remains uneven across domains and contextual grounding. To bridge this gap, we introduce Nexus, a multi-agent forecasting framework that decomposes prediction into specialized stages: isolating macro-level and micro-level temporal fluctuations, and integrating contextual information when available before synthesizing a final forecast. This decomposition enables Nexus to adapt from seasonal signals to volatile, event-driven information without relying on external statistical anchors or monolithic prompting. We show that current-generation LLMs possess substantially stronger intrinsic forecasting ability than previously recognized, depending critically on how numerical and contextual reasoning are organized. Evaluated on data strictly succeeding LLM knowledge cutoffs spanning Zillow real estate metrics and volatile stock market equities, Nexus consistently matches or outperforms state-of-the-art TSFMs and strong LLM baselines. Beyond numerical accuracy, Nexus produces high-quality reasoning traces that explicitly show the fundamental drivers behind each forecast. Our results establish that real-world forecasting is an agentic reasoning problem extending well beyond only sequence modeling.
Authors: Chenyi Wang, Ruoyu Song, Raymond Muller, Jean-Philippe Monteuuis, Jonathan Petit, Z. Berkay Celik, Ryan Gerdes, Ming F. Li
Abstract: Autonomous vehicles depend on online HD map construction to perceive lane boundaries, dividers, and pedestrian crossings -- safety-critical road elements that directly govern motion planning. While existing pixel perturbation attacks can disrupt the mapping, they can be neutralized by standard adversarial defenses. We present MIRAGE, a framework for systematic discovery of semantic attacks that bypass adversarial defenses and degrade mapping predictions by finding plausible environmental variation (e.g. shadows, wet roads). MIRAGE exploits the latent manifold of real-world data learned by diffusion models, and searches for semantically mutated scenes neighboring the ground truth with the same road topology yet mislead the mapping predictions. We evaluate MIRAGE on nuScenes and demonstrate two attacks: (1) boundary removal, suppressing 57.7% of detections and corrupting 96% of planned trajectories; and (2) boundary injection, the only method that successfully injects fictitious boundaries, while pixel PGD and AdvPatch fail entirely. Both attacks remain potent under various adversarial defenses. We use two independent VLM judges to quantify realism, where MIRAGE passes as realistic 80--84% of the time (vs. 97--99% for clean nuScenes), while AdvPatch only 0--9%. Our findings expose a categorical gap in current adversarial defenses: semantic-level perturbations that manifest as legitimate environmental variation are substantially harder to mitigate than pixel-level perturbations.
Authors: Krishna Sayana, Ketan Todi, Ambarish Jash
Abstract: The shift toward interacting with frozen, "black-box" Large Language Models (LLMs) has transformed prompt engineering from a heuristic exercise into a critical optimization challenge. We propose a Reinforcement Learning (RL) framework for training learned prompting policies via iterative distillation of experience. In this architecture, a lightweight prompter model is optimized to maximize task-specific rewards for a larger, frozen worker LLM. By utilizing a contrastive experience buffer that couples scalar rewards with dense textual critiques, our approach effectively amortizes iterative prompt refinement into single-shot policy weights. Our experimental analysis focuses on the Big Bench Extra Hard (BBEH) and Tau-bench suites, covering a diverse range of multi-step reasoning and tool-use tasks. We demonstrate significant gains, improving performance from 55% to 90% in logic-intensive reasoning and 74% to 91% in tool-use tasks. Furthermore, we analyze the structural evolution of prompts, demonstrating how the policy discovers specialized algorithmic heuristics. We provide comprehensive comparisons against state-of-the-art evolutionary baselines like GEPA, showing that iterative distillation achieves superior performance with higher sample efficiency.
Authors: Chandan Rajah, Neha Sengupta, Federico Castanedo, Robin Mills, Amit Bahree, Ramesh Krishnan Muthukrishnan, Larry Murray
Abstract: The Intelligence Impact Quotient (IIQ) is a composite metric intended to quantify the depth to which AI systems are integrated into organizational work and their impact. Rather than treating access counts or aggregate token volume as sufficient evidence of impact, IIQ combines a novelty-weighted, time-decayed token stock with usage frequency, a grace-period recency gate, organizational leverage, task complexity, and autonomy. The formulation produces a raw Intelligence Adoption Index (IAI) and a normalized 0-1000 IIQ index for comparison between heterogeneous users and units. We also derive sub-daily update rules and a bounded interpretation layer for estimated efficiency and financial impact. The paper positions IIQ as a deployment-oriented measurement framework: a formal proposal for tracking AI embedding in workflows, not a direct measure of model capability or a substitute for causal productivity evaluation. Synthetic scenarios illustrate how the revised metric distinguishes between frequent low-leverage use, semantically repetitive prompting, and more autonomous, higher-consequence AI-assisted work.
Authors: Tianjue Lin, Jianan Zhou, Jieyi Bi, Yaoxin Wu, Wen Song, Zhiguang Cao, Jie Zhang
Abstract: Two-Stage Robust Optimization (2RO) with discrete uncertainty is challenging, often rendering exact solutions prohibitive. Scenario reduction alleviates this issue by selecting a small, representative subset of scenarios to enable tractable computation. However, existing methods are largely problem-agnostic, operating solely on the uncertainty set without consulting the feasible region or recourse structure. In this paper, we introduce PRISE, a problem-driven sequential lookahead heuristic that constructs reduced scenario sets by evaluating the marginal impact of each scenario. While PRISE yields high-quality scenario subsets, each selection step requires solving multiple subproblems, making it computationally expensive at scale. To address this, we propose NeurPRISE, a neural surrogate model built on a GNN-Transformer backbone that encodes the per-scenario structure via graph convolution and captures cross-scenario interactions through attention. NeurPRISE is trained via imitation learning with a gain-aware ranking objective, which distills marginal gain information from PRISE into a learned scoring function for scenario ranking and selection. Extensive results on three 2RO problems show that NeurPRISE consistently achieves competitive regret relative to comprehensive methods, maintains strong calability with varying numbers of scenarios, and delivers 7-200x speedup over PRISE. NeurPRISE also exhibits strong zero-shot generalization, effectively handling instances with larger problem scales (up to 5x), more scenarios (up to 4x), and distribution shifts.
Authors: Edoardo Scarpel, Alberto Pettena, Matteo Cederle, Federico Chiariotti, Marco Fabris, Gian Antonio Susto
Abstract: This paper proposes a fully dynamic Deep Reinforcement Learning (DRL) method for rebalancing dockless bike-sharing systems, overcoming the limitations of periodic, system-wide interventions. We model the service through a graph-based simulator and cast rebalancing as a Markov decision process. A DRL agent routes a single truck in real time, executing localized pick-up, drop-off, and charging actions guided by spatiotemporal criticality scores. Experiments on real-world data show significant reductions in availability failures with a minimal fleet size, while limiting spatial inequality and mobility deserts. Our approach demonstrates the value of learning-based rebalancing for efficient and reliable shared micromobility.
Authors: Avik Bhattacharya, Siddhant Dnyanesh Gole, Subhasis Chaudhuri, Alejandro C. Frery, Biplab Banerjee
Abstract: Activation functions are central to deep networks, influencing non-linearity, feature learning, convergence, and robustness. This paper proposes the Adaptive Arctangent Gated Activation (ArcGate) function, a flexible formulation that generates a broad spectrum of activation shapes via a three-stage non-linear transformation. Unlike conventional fixed-shape activations such as ReLU, GELU, or SiLU, ArcGate uses seven learnable parameters per layer, allowing the neural network to autonomously optimize its non-linearity to the specific requirements of the feature hierarchy and data distribution. We evaluate ArcGate using ResNet-50 and Vision Transformer (ViT-B/16) architectures on three widely used remote sensing benchmarks: PatternNet, UC Merced Land Use, and the 13-band EuroSAT MSI multispectral dataset. Experimental results show that ArcGate consistently outperforms standard baselines, achieving a peak overall accuracy of 99.67% on PatternNet. Most notably, ArcGate exhibits superior structural resilience in noisy environments, maintaining a 26.65% performance lead over ReLU under moderate Gaussian noise (standard deviation 0.1). Analysis of the learned parameters reveals a depth-dependent functional evolution, where the model increases gating strength in deeper layers to enhance signal propagation. These findings suggest that ArcGate is a robust and adaptive general node activation function for high-resolution earth observation tasks.
Authors: Yang Zhou, Yicheng Li, Yuqian Cheng, Qian Lin
Abstract: Recent studies have reported $\textit{saturation effects}$ and $\textit{multiple descent behavior}$ in large dimensional kernel ridge regression (KRR). However, these findings are predominantly derived under restrictive settings, such as inner product kernels on sphere or strong eigenfunction assumptions like hypercontractivity. Whether such behaviors hold for other kernels remains an open question. In this paper, we establish a broad, new family of large dimensional kernels and derive the corresponding convergence rates of the generalization error. As a result, we recover key phenomena previously associated with inner product kernels on sphere, including: $i)$ the $\textit{minimax optimality}$ when the source condition $s\le 1$; $ii)$ the $\textit{saturation effect}$ when $s>1$; $iii)$ a $\textit{periodic plateau phenomenon}$ in the convergence rate and a $\textit {multiple-descent behavior}$ with respect to the sample size $n$.
Authors: Arie Wortsman-Zurich, Hugo Tabanelli, Yatin Dandi, Florent Krzakala, Bruno Loureiro
Abstract: We propose a simple mechanism by which scaling laws emerge from feature learning in multi-layer networks. We study a high-dimensional hierarchical target that is a globally high-degree function, but that can be represented by a combination of latent compositional features whose weights decrease as a power law. We show that a layer-wise spectral algorithm adapted to this compositional structure achieves improved scaling relative to shallow, non-adaptive methods, and recovers the latent directions sequentially: strong features become detectable at small sample sizes, while weaker features require more data. We prove sharp feature-wise recovery thresholds and show that aggregating these transitions yields an explicit power-law decay of the prediction error. Technically, the analysis relies on random matrix methods and a resolvent-based perturbation argument, which gives matching upper and lower bounds for individual eigenvector recovery beyond what standard gap-based perturbation bounds provide. Numerical experiments confirm the predicted sequential recovery, finite-size smoothing of the thresholds, and separation from non-hierarchical kernel baselines. Together, these results show how smooth scaling laws can emerge from a cascade of sharp feature-learning transitions.
Authors: Ali Hassaan Mughal, Noor Fatima, Muhammad Bilal
Abstract: Context. Behaviour-Driven Development (BDD) software test suites accumulate duplicated step subsequences. Three published refactoring patterns are available (within-file Background, within-repo reusable-scenario invocation, cross-organisational shared higher-level step), but no prior work automates which recurring subsequences are worth extracting or which mechanism applies. Objective. Rank recurring step subsequences ("slices") by refactoring suitability (extraction-worthy), pre-map each to one of the three patterns, and quantify prevalence across the public BDD ecosystem. Method. Every contiguous L-step window (L in [2, 18]) in a 339-repository / 276-upstream-owner Gherkin corpus is keyed by paraphrase-robust cluster identifiers and counted under three scopes. Sentence-BERT (SBERT) / Uniform Manifold Approximation and Projection (UMAP) / Hierarchical Density-Based Clustering (HDBSCAN) recovers paraphrase-equivalent slices. Three authors label a stratified 200-slice pool against a written rubric. An eXtreme Gradient Boosting (XGBoost) extraction-worthy classifier trained under 5-fold cross-validation is compared with a tuned rule baseline and two open-weight Large Language Model (LLM) judges. Results. The miner produces 5,382,249 slices collapsing to 692,020 recurring patterns. Three-author Fleiss' kappa = 0.56 (extraction-worthy) and 0.79 (mechanism). The classifier reaches out-of-fold F1 = 0.891 (95% CI [0.852, 0.927]), outperforming both the rule baseline (F1 = 0.836, p = 0.017) and the better LLM judge (F1 = 0.728, p < 1e-4). 75.0%, 59.5%, and 11.7% of scenarios carry a within-file Background, within-repo reusable-scenario, or cross-organisational shared-step candidate. Conclusion. Paraphrase-robust subscenario discovery yields a corpus-wide census of BDD refactoring opportunities; pipeline, classifier predictions, labelled pool, and rubric are released under Apache-2.0.
Authors: Tianfang Zhu, Ning An, Rui Wang, Jiasi Gao, Qingming Luo, Anan Li, Guyue Zhou
Abstract: Observing touch on another's body can elicit corresponding tactile sensations in the observer, a phenomenon termed mirror touch that supports empathy and social perception. This visuo-tactile resonance is thought to rely on structural correspondence between visual and somatosensory cortices, yet robotic systems lack computational frameworks that instantiate this principle. Here we demonstrate that cortical correspondence can be operationalized to endow robots with mirror touch. We introduce Mirror Touch Net, which imposes semantic, distributional and geometric alignment between visual and tactile representations through multi-level constraints, enabling prediction of millimetre-scale tactile signals across 1,140 taxels on a robotic hand from RGB images. Manifold analysis reveals that these constraints reshape visual representations into geometry consistent with the tactile manifold, reducing the complexity of cross-modal mapping. Extending this alignment framework to cross-domain observations of human hands enables tactile prediction and reflexive responses to observed human touch. Our results link a neural principle of visuo-tactile resonance to robotic perception, providing an explainable route towards anticipatory touch and empathic human-robot interaction. Code is available at https://github.com/fun0515/Mirror-Touch-Net.
Authors: Rishabh Dey, Salvina Sharipova, Konstantin Popov
Abstract: Implicit solvent models are widely used to decrease the number of solvent degrees of freedom and enable the calculation of solvation energetics without water molecules. However, its accuracy often falls short compared to explicit models. Recent advancements in neural potentials have shown promise in drug discovery, but transferability remains a persistent challenge. Here, we introduce the Protein Hydration Neural Network (PHNN), an implicit solvent model that extends analytical continuum solvation by learning transferable corrections to model parameters instead of applying post hoc adjustments to final energies. The model is explicitly designed to maximize data efficiency by leveraging physical priors embedded in the data. We demonstrate that PHNN improves accuracy relative to traditional analytical methods and maintains predictive accuracy on out-of-domain protein systems.
Authors: Itay Zloczower, Eyal Lenga, Gilad Gressel, Yisroel Mirsky
Abstract: Model providers increasingly release open weights or allow users to fine-tune foundation models through APIs. Although these models are safety-aligned before release, their safeguards can often be removed by fine-tuning on harmful data. Recent defenses aim to make models robust to such malicious fine-tuning, but they are largely evaluated only against fixed attacks that do not account for the defense. We show that these robustness claims are incomplete. Surveying 15 recent defenses, we identify several defense mechanisms and show that they share a single weakness: they obscure or misdirect the path to harmful behavior without removing the behavior itself. We then develop a unified adaptive attack that breaks defenses across all defense mechanisms. Our results show that current approaches do not provide robust security; they mainly stop the attacks they were designed against. We hope that our unified adaptive adversary for this domain will help future researchers and practitioners stress-test new defenses before deployment.
Authors: Adam Dawid Sztamborski, Ra\"ul P\'erez-Gonzalo, Antonio Agudo
Abstract: Accurate image segmentation remains challenging, particularly in generating sharp, confident boundaries. While modern architectures have advanced the field, many of them still rely on standard loss functions like Cross-Entropy and Dice, which often neglect the discriminative structure of learned features, leading to inaccurate boundaries. This work introduces Deep Discriminant Analysis (DDA), a differentiable, architecture-agnostic loss function that embeds classical discriminant principles for network training. DDA explicitly maximizes between-class variance while minimizing within-class one, promoting compact and separable feature distributions without increasing inference cost. Evaluations on the DIS5K benchmark demonstrate that DDA consistently improves segmentation accuracy, boundary sharpness, and model confidence across various architectures. Our results show that integrating discriminant analysis offers a simple, effective path for building more robust segmentation models.
Authors: Xiaochen Chou, Ludovica Di Marco, Enza Messina
Abstract: The multi-path Traveling Salesman Problem with stochastic travel costs arises in hybrid vehicle routing applications designed for Smart City and City Logistics, where multiple paths exist between each pair of locations. Travel times along these paths are typically affected by real-time traffic conditions and therefore modeled as stochastic. The objective of the problem is to determine a Hamiltonian tour that minimizes the expected total travel cost under uncertainty. In this work, we adopt a two-stage stochastic programming formulation. In the first stage, a predefined route specifying the sequence of locations to be visited is determined, while taking into consideration a second-stage recourse problem that selects the optimal path from the feasible set of alternative paths for each pair of locations, once real-time traffic conditions are realized. To reduce the computational burden imposed by the large number of scenarios required to capture travel time uncertainty, the innovation of this work is the integration of neural network-based surrogate models to approximate the expected value of the second-stage recourse problem. Different architectures and training strategies for the neural networks are proposed and analyzed, with performance evaluated in terms of computation time, solution quality, and generalization capability. Preliminary findings demonstrate the enhanced scalability and practical applicability of the approach for complex vehicle routing problems under uncertainty.
Authors: Pengcheng Fang, Tengjiao Sun, Dongjie Fu, Xiaoyu Zhan, Yanwen Guo, Hansung Kim, Xiaohao Cai
Abstract: Sparse anchors provide a compact interface for human motion authoring: users specify a few root positions, planar trajectory samples, or body-point targets, while the system synthesizes the full-body motion that completes the under-specified intent. We present AnchorRoute, a sparse-anchor motion synthesis framework that uses anchors as a shared scaffold for both generation and refinement. Before generation, AnchorRoute converts sparse anchors into anchor-condition features and injects the resulting condition memory into a frozen Transition Masked Diffusion prior through AnchorKV and dual-context conditioning. This preserves the generation quality of the pretrained text-to-motion prior while learning sparse spatial control. After generation, the same anchors are evaluated as residuals: their timestamps define refinement intervals, and their residuals determine where correction should be concentrated. RouteSolver then refines the motion by projecting soft-token updates onto anchor-defined piecewise-affine interval bases. This couples generation-time anchor conditioning with residual-routed refinement under one anchor scaffold. AnchorRoute supports root-3D, planar-root, and body-point control within the same formulation. In benchmark evaluations, AnchorRoute outperforms prior sparse-control methods under the sparse keyjoint protocol and consistently improves anchor adherence across control families. The results show that the learned anchor-conditioned generator and RouteSolver refinement are complementary: the generator preserves text-motion quality, while RouteSolver provides a controllable path toward stronger anchor adherence.
Authors: Minghao Wu, Yuting Yan, Zhenyang Cai, Ke Ji, Chuangsen Fang, Ziying Sheng, Xidong Wang, Rongsheng Wang, Hejia Zhang, Shuang Li, Benyou Wang, Hongyuan Zha
Abstract: Sepsis management in the ICU requires sequential treatment decisions under rapidly evolving patient physiology. Although large language models (LLMs) encode broad clinical knowledge and can reason over guidelines, they are not inherently grounded in action-conditioned patient dynamics. We introduce SepsisAgent, a world model-augmented LLM agent for sepsis treatment recommendation. SepsisAgent uses a learned Clinical World Model to simulate patient responses under candidate fluid--vasopressor interventions, and follows a propose--simulate--refine workflow before committing to a prescription. We first show that world-model access alone yields inconsistent LLM decision performance, motivating agent-specific training. We then train SepsisAgent through a three-stage curriculum: patient-dynamics supervised fine-tuning, propose--simulate--refine behavior cloning, and world-model-based agentic reinforcement learning. On MIMIC-IV sepsis trajectories, SepsisAgent outperforms all traditional RL and LLM-based baselines in off-policy value while achieving the best safety profile under guideline adherence and unsafe-action metrics. Further analysis shows that repeated interaction with the Clinical World Model enables the agent to learn regularities in patient evolution, which remain useful even when simulator access is removed.
Authors: Dinanath Pathya, Sajen Maharjan, Binita Adhikari, Ishwor Raj Pokharel
Abstract: Target speech extraction remains difficult for compact devices because monaural neural models lack spatial evidence and classical beamformers lose resolving power when the microphone aperture is only a few centimetres. We present IsoNet, a user-selectable audio-visual target speech extraction system for a compact 4-microphone array. IsoNet combines complex multi-channel STFT features, GCC-PHAT spatial cues, face-conditioned visual embeddings, and auxiliary direction-of-arrival supervision inside a U-Net mask estimation network. Three curriculum variants were trained on 25,000 simulated VoxCeleb mixtures with progressively difficult SNR regimes. On a hard test set spanning -1 to 10 dB SNR, IsoNet-CL1 achieves 9.31 dB SI-SDR, a 4.85 dB improvement over the mixture, with PESQ 2.13 and STOI 0.84. Oracle delay-and-sum and MVDR beamformers degrade the same mixtures by 4.82 dB and 6.08 dB SI-SDRi, respectively, showing that the proposed learned multimodal conditioning solves a regime where conventional spatial filtering is ineffective. Ablation studies show consistent gains from visual conditioning, GCC-PHAT features, and extended delay-bin encoding. The results establish a compact-array, face-selectable speech extraction baseline under controlled simulation and identify the remaining barriers to real deployment, especially phase reconstruction, multi-interferer mixtures, and simulation-to-real transfer.
Authors: Weimin Xiong, Shuhao Gu, Bowen Ye, Zihao Yue, Lei Li, Feifan Song, Sujian Li, Hao Tian
Abstract: Recent advances in multimodal large language models have driven growing interest in graphical user interface (GUI) agents, yet their generalization remains constrained by the scarcity of large-scale training data spanning diverse real-world applications. Existing datasets rely heavily on costly manual annotations and are typically confined to narrow domains. To address this challenge, we propose Video2GUI, a fully automated framework that extracts grounded GUI interaction trajectories directly from unlabeled Internet videos. Video2GUI employs a coarse-to-fine filtering strategy to identify high-quality GUI tutorial videos and convert them into structured agent trajectories. Applying this pipeline to 500 million video metadata entries, we construct WildGUI, a large-scale dataset containing 12 million interaction trajectories spanning over 1,500 applications and websites. Pre-training Qwen2.5-VL and Mimo-VL on WildGUI yields consistent improvements of 5-20% across multiple GUI grounding and action benchmarks, matching or surpassing state-of-the-art performance. We will release both the WildGUI dataset and the Video2GUI pipeline to support future research of GUI agents.
Authors: Sangwoo Kim
Abstract: Intervention is one of the most representative and widely used methods for understanding the internal representations of large language models (LLMs). However, existing intervention methods are confined to linear interventions grounded in the Linear Representation Hypothesis, leaving features encoded along non-linear manifolds beyond their reach. In this work, we introduce a general formulation of intervention that extends naturally to non-linearly represented features, together with a learning procedure that further enables intervention on implicit features lacking a direct output signature. We validate our framework on refusal bypass steering, where it steers the model more precisely than linear baselines by intervening on a non-linear feature governing refusal.
Authors: Yujun Huo, He Zhang, Chentao Song, Honglin Song, Zongyu Zuo, Tao Yu
Abstract: Understanding human motion beyond surface kinematics is crucial for motion analysis, rehabilitation, and injury risk assessment. However, progress in this domain is limited by the lack of large-scale datasets with biomechanical annotations, and by existing approaches that cannot directly infer internal biomechanical states from visual observations. In this paper, we introduce a simulation-based framework for estimating muscle activations from existing motion capture datasets, resulting in BioHuman10M, a large-scale dataset with synchronized video, motion, and activations. Building on BioHuman10M, we propose BioHuman, an end-to-end model that takes monocular video as input and jointly predicts human motion and muscle activations, effectively bridging visual observations and internal biomechanical states. Extensive experiments demonstrate that BioHuman enables accurate reconstruction of both kinematic motion and muscle activity, and generalizes across diverse subjects and motions. We believe our approach establishes a new benchmark for video-based biomechanical understanding and opens up new possibilities for physically grounded human modeling.
Authors: William Lugoloobi, Samuelle Marro, Jabez Magomere, Joss Wright, Chris Russell
Abstract: As LLM-based agents increasingly browse the web on users' behalf, a natural question arises: can websites passively identify which underlying model powers an agent? Doing so would represent a significant security risk, enabling targeted attacks tailored to known model vulnerabilities. Across 14 frontier LLMs and four web environments spanning information retrieval and shopping tasks, we show that an agent's actions and interaction timings, captured via a passive JavaScript tracker, are sufficient to identify the underlying model with up to 96\% F1. We formalise this attack surface by demonstrating that classifiers trained on agent actions generalise across model sizes and families. We further show that strong classifiers can be trained from few interaction traces and that agent identity can be inferred early within an episode. Injecting randomised timing delays between actions substantially degrades classifier performance, but does not provide robust protection: a classifier retrained on delayed traces largely recovers performance. We release our harness and a labelled corpus of agent traces \href{https://github.com/KabakaWilliam/known_actions}{here}.
Authors: Giulia Patan\`e, Alessandra Menafoglio, Alexander Krauth, Peter Fechner, Luca Dede', Bianca Maria Colosimo, Federica Nicolussi
Abstract: Existing clustering methods for functional data often prioritize partitioning accuracy over interpretability, making it challenging to extract meaningful insights when the data-generating process follows a specific underlying structure and an ordinal relationship among clusters is suspected. This work introduces K-Models, a novel framework that integrates ordinal constraints and estimates key underlying elements of the random process generating the observed functional profiles, improving both interpretability and structure identification. The proposed method is evaluated through simulations and real-world applications. In particular, it is tested on Region of Interest (ROI) curves, which represent reaction profiles from a reflectometric sensor monitoring biomolecular interactions, such as antigen-antibody binding. These curves represent changes in reflected light intensity over time at multiple measurement spots with immobilized antigens during analyte exposure, capturing the binding dynamics of the system. The goal is to identify intrinsic signal patterns solely from the observed dynamics, making this dataset an ideal benchmark for assessing the added interpretability of the proposed approach. By incorporating structural assumptions into the clustering process, K-Models enhances interpretability while maintaining performance comparable to state-of-the-art techniques, providing a valuable tool for analyzing functional data with an underlying ordinal structure.
Authors: Vincent Herrmann, J\"urgen Schmidhuber
Abstract: One of the bottlenecks on the way towards recursively self-improving systems is the challenge of interestingness: the ability to prospectively identify which tasks or data hold the potential for future progress. We formalize interestingness as an inductive heuristic for future compression progress and investigate its predictability using tools from Kolmogorov Complexity and Algorithmic Statistics. By analyzing complexity-runtime profiles under Length, Algorithmic, and Speed priors, we demonstrate that the inductive property of interestingness -- the capacity for past progress to signal future discovery -- is theoretically viable and empirically supported. We prove that expected future progress depends exponentially on the recency of the last observed breakthrough. Furthermore, we show that the Algorithmic Prior is significantly more optimistic than the Length Prior, yielding a quadratic increase in expected discovery for the same observed profile. These findings are experimentally confirmed across three diverse universal computational paradigms.
Authors: Andrea Angino, Bindi \c{C}apriqi, Shega Likaj, Ken Trotti, Rolf Krause
Abstract: Training deep neural networks at scale can benefit from domain decomposition, where the network is split into subdomains trained in parallel and coupled by a global trust-region mechanism. Building on the Additively Preconditioned Trust-Region Strategy (APTS), we propose a non-monotone variant with a nonlinear additive Schwarz preconditioner that combines parallel subdomain corrections with global coarse-space directions. A windowed acceptance criterion allows controlled objective increases, avoiding needless rejection of effective coarse steps. The resulting non-monotone APTS (NAPTS) preserves accuracy while reducing CPU time by 30\% and cutting rejected steps to one third of those in APTS.
Authors: Nikolaos Al. Papadopoulos
Abstract: A plethora real-world environments require agents to compete repeatedly for the same limited resource, calling for a temporal notion of fairness judged across entire interaction histories. This paper advances the theory of temporal fair division by introducing Rotational Periodicity (RP), a family of lightweight metrics, alongside the ALT family of sliding-window measures, within a unified framework for repeated multi-agent resource competition. We formalise the Multi-Agent Battle of the Exes (MBoE) as a repeated fair division instance and establish Perfect Alternation (PA) as its canonical temporally fair solution, drawing connections to proportionality, envy-freeness, and n-periodic round-robin allocation. RP decomposes temporal fairness into two complementary sub-measures: Rotational Score (RS) and Waiting Periods Evaluation (WPE), achieving O(nu+n) time complexity versus the O(nu*n) of ALT, where nu is the episode count and n the agent count. Empirical evaluation across n in {2,3,5,8,10} reveals three findings. First, both RP and ALT expose a coordination failure invisible to traditional metrics: Q-learning agents perform worse than random policies by 10-73% on RP and 7-35% on CALT, while Reward Fairness remains misleadingly high (above 0.92 for n>=3). Second, RP achieves 12-25x computational speedup over ALT, growing with n. Third, the two families are complementary: ALT provides richer discrimination for small populations; RP scales reliably where ALT becomes intractable. Together they form a diagnostic toolkit for temporal fair division.
Authors: Qingyuan Zhou, Xinyi Liu, Weidong Yang, Ning Wang, Shuquan Ye, Ben Fei, Ying He, Wanli Ouyang
Abstract: Recent advances in 3D Gaussian Splatting (3DGS) have achieved remarkable success in high-fidelity Novel View Synthesis (NVS), yet the optimization process inevitably introduces noisy Gaussian primitives due to the sparse and incomplete initialization from Structure-from-Motion (SfM) point clouds. Most existing methods focus solely on adjusting the positions of primitives during optimization, while neglecting the underlying spatial structure. To this end, we introduce a new perspective by formulating the optimization of 3DGS as a primitive denoising process and propose Denoising-GS, a spatial-aware denoising framework for Gaussian primitives by taking both the positions and spatial structure into consideration. Specifically, we design an optimizer that preserves the spatial optimization flow of primitives, facilitating coherent and directed denoising rather than random perturbations. Building upon this, the Spatial Gradient-based Denoising strategy jointly considers the spatial supports of primitives to ensure gradient-consistent updates. Furthermore, the Uncertainty-based Denoising module estimates primitive-wise uncertainty to prune redundant or noisy primitives, while the Spatial Coherence Refinement strategy selectively splits primitives in sparse regions to maintain structural completeness. Experiments conducted on three benchmark datasets demonstrate that Denoising-GS consistently enhances NVS fidelity while maintaining representation compactness, achieving state-of-the-art performance across all benchmarks. Source code and models will be made publicly available.
Authors: Shantanu Sarkar, Sai Shashank Gandavarapu, Jeff Feng, Saurabh Prasad, Reza Khanbabaie, Jose L. Contreras-Vidal
Abstract: Mild traumatic brain injury (mTBI) is a prevalent condition that remains difficult to diagnose in its early stages. Oculomotor dysfunction is a well-established marker of mTBI, motivating the development of portable tools that capture both eye-movement behavior and underlying neurophysiology. In this work, we present an initial framework that integrates electroencephalogram (EEG) with augmented-reality (AR)-based Vestibular/Ocular Motor Screening (VOMS) tasks to estimate subject-specific ocular response times. Pre-processed EEG signals, obtained through band-pass filtering and average referencing, are analyzed using a Redundant Discrete Wavelet Transform (RDWT)-driven deep neural framework. The RDWT coefficients are subjected to trainable zero-phase convolutional filtering and reconstructed into the time domain via inverse RDWT, followed by channel-wise temporal and spatial filtering using 2D convolution layers and convolutional-LSTM-based decoding. An ablation study demonstrates that wavelet-domain filtering serves as an effective denoising strategy, improving prediction performance. Sliding-window predictions were validated using Pearson correlation (>= 0.5), and Dynamic Time Warping (DTW) was subsequently used to estimate ocular response times. DTW-derived metrics revealed significant inter-subject differences across all VOM tasks, supported by Mann-Whitney U tests. Cross-correlation analysis further revealed task-dependent temporal behaviors: pursuit tasks exhibited reactive tracking, whereas saccades showed anticipatory responses. Overall, the results highlight pursuit tasks as particularly informative for distinguishing timing differences and demonstrate the potential of RDWT-based EEG features combined with DTW metrics for multimodal mTBI assessment.
Authors: Madhurananda Pahar, Caitlin H. Illingworth, Bahman Mirheidari, Hend Elghazaly, Fritz Peters, Sophie Young, Wing-Zin Leung, Labhpreet Kaur, Daniel Blackburn, Heidi Christensen
Abstract: Speech-based analysis offers a scalable and non-invasive approach for detecting cognitive decline, yet progress has been constrained by the limited availability of clinically validated datasets collected under realistic conditions. We introduce PROCESS-2, a large-scale speech dataset designed to support research on automatic assessment of cognitive impairment from spontaneous and task-oriented speech. The dataset comprises recordings from 200 healthy controls, 150 mild cognitive impairment, and 50 dementia diagnoses collected using the CognoMemory digital assessment platform. Each participant completed a single assessment session, including picture description and verbal fluency tasks, accompanied by manually verified transcripts and participant-level metadata. PROCESS-2 contains approximately 21 hours of speech audio with predefined train/test partitions. Comprehensive technical validation evaluated demographic balance, clinical consistency, recording stability, embedding-space structure, and reproducible baseline modelling performance, demonstrating clinically meaningful group separation and stable performance across modelling approaches while preserving real-world conversational variability. PROCESS-2 is released under controlled access via Hugging Face to enable responsible reuse while protecting participant privacy, providing a reproducible benchmark resource for speech-based cognitive assessment research.
Authors: Jakub Grzywaczewski, Dawid P{\l}udowski, Przemys{\l}aw Biecek
Abstract: Contrastively pre-trained Vision-Language Models (VLMs) serve as powerful feature extractors. Yet, their shared latent spaces are prone to structural anomalies and act as repositories for non-semantic, multi-modal noise. To address this phenomenon, we employ spectral decomposition of covariance matrices to decompose the VLM latent space into a multi-modal semantic signal component and a shared noise subspace. We observe that this noise geometry exhibits strong subgroup invariance across distinct data subsets. Crucially, pruning these shared noise dimensions is mainly harmless, preserving or actively improving downstream task performance. By isolating true semantic signals from artifactual noise, this work provides new mechanistic insights into the representational structure of modern VLMs, suggesting that a substantial fraction of their latent geometry is governed by shared, architecture-level noise rather than task-relevant semantics alone.
Authors: Amir Mohammad Rostami, Pourya Jafarzadeh
Abstract: This paper presents a system for the 2024 Text-Dependent Speaker Verification (TdSV) Challenge. The system achieved a Minimum Detection Cost Function (MinDCF) of 0.0461 and an Equal Error Rate (EER) of 1.3\%. Our approach focused on adapting existing state-of-the-art neural networks, ResNet-TDNN and NeXt-TDNN, originally trained on the VoxCeleb dataset. This strategy was chosen because of the limited challenge duration and the available resources at the time. In addition, we designed a lightweight and resource-efficient model, EfficientNet-A0, trained specifically on the challenge dataset to improve adaptation and strengthen the ensemble approach. Our system combines advanced neural architectures, extensive data augmentation, and optimised hyperparameters. These components helped achieve strong performance in text-dependent speaker verification. The results also demonstrate the effectiveness of multi-model ensemble learning for both speaker and phrase verification.
Authors: Varad Vishwarupe, Nigel Shadbolt, Marina Jirotka
Abstract: Pluralistic alignment is typically operationalised as preference aggregation: producing responses that span (Overton), steer toward (Steerable), or proportionally represent (Distributional) diverse human values. We argue that aggregation alone is an incomplete primitive for deployed pluralistic alignment. Under genuine value pluralism, the failure mode of contemporary RLHF-trained assistants is not insufficient coverage but sycophantic consensus: a learned tendency to agree with, validate, and minimise friction with the immediate interlocutor. Because deployed AI systems now mediate consequential deliberation across health, civic life, labour, and governance, the collapse of disagreement at the interaction layer is not a narrow technical concern but a structural failure with distributive consequences. We reframe pluralistic alignment around three conversational mechanisms drawn from Grice's maxims: scoping (acknowledging the limits of one's perspective), signalling (surfacing value-conflict rather than smoothing it over), and repair (revising one's position on principled grounds, not on user pressure). We formalise a metric, the Pluralistic Repair Score (PRS), distinguishing principled revision from capitulation, and present a small-scale empirical illustration on two frontier RLHF-trained models (Claude Sonnet 4.5, N=198; GPT-4o, N=100) showing that, for both, agreement-following coexists with low repair-quality on contested-value prompts. PRS measures an interactional precondition for pluralism (visible disagreement; principled revision) rather than pluralism in full; we discuss the difference, take seriously the reflexive question of whose "principled" counts, and argue that pluralism is most decisively made or unmade at the deployment-governance layer: interfaces, preference-data pipelines, and audit infrastructure.
Authors: Yunsong Fang (University of Macau), Tingyu Wang (Hangzhou Dianzi University), Zhedong Zheng (University of Macau)
Abstract: Drone-view geo-localization aims to match a query drone image, often captured under adverse weather conditions (e.g., rain, snow, fog), against a gallery of geo-tagged satellite images. Weather-induced degradations in the drone view, such as noise, reduced visibility, and partial occlusions, severely exacerbate the intrinsic cross-view domain gap. While prior methods predominantly rely on weather-specific architectures or data augmentations, they have largely overlooked road map data, a readily available modality that provides strong, inherently weather-invariant geometric layout cues (e.g., road networks and building footprints) at negligible additional cost. We introduce GeoFuse, a cross-modal fusion framework that integrates precisely aligned road map tiles with satellite imagery to yield more discriminative and weather-resilient representations. We first augment the existing University-1652 and DenseUAV benchmarks with geo-aligned road maps, supplying structural priors robust to meteorological variations. Building on this, we propose a flexible fusion module that combines satellite and road map features via token-level and channel-level interactions, with a lightweight dynamic gating mechanism that adaptively weights modality contributions per instance. Finally, we employ class-level cross-view contrastive learning to promote robust alignment between weather-degraded drone features and the fused satellite-roadmap representations. Extensive experiments under diverse weather conditions show that GeoFuse consistently outperforms state-of-the-art methods, achieving +3.46% and +23.18% Recall@1 accuracy on the University-1652 and DenseUAV benchmarks, respectively.
Authors: Alasdair Ross, George K. Holt, Kamran Pentland, Adriano Agnello, Nicola C. Amorisco, Pedro Cavestany, Aran Garrod, Timothy Nunn, Charles Vincent, Graham McArdle
Abstract: Reliable position and shape control in tokamak plasmas requires accurate real-time regulation of several strongly coupled shape parameters. The control vectors that disentangle these couplings, referred to as \textit{virtual circuits} (VCs), enable independent shape parameter control for a specific Grad--Shafranov (GS) equilibrium. Numerical calculation of VCs is not currently feasible in real time, therefore VCs are usually computed prior to each experiment, using a small number of reference GS equilibria sampled along the desired scenario trajectory, with each VC used to control the plasma within a preset time interval. While effective near the reference equilibrium, this approach can lead to degraded performance as the plasma departs from the reference equilibrium and/or from the desired trajectory, and it complicates the design of robust control strategies for rapidly evolving plasma configurations. In this paper, we construct neural-network-based emulators of plasma shape parameters from which VCs can be derived, to provide the MAST Upgrade (MAST-U) plasma control system with state-aware VCs in real-time. To do this, we develop an extensive library of over a million simulated GS equilibria, covering a substantial portion of the MAST-U operational space. These emulators provide differentiable functions whose gradients can be rapidly computed, enabling the derivation of accurate VCs for real-time shape control. We perform extensive verification of the emulated VCs by testing whether they disentangle the control problem. The neural-network-based approach delivers high accuracy and orthogonality across a diverse range of equilibria. This work establishes the physical validity of emulated VCs as a scalable and general alternative to schedules of precomputed VCs.
Authors: Shantanu Sarkar, Jose L. Contreras-Vidal
Abstract: Electroencephalogram (EEG) signals are highly susceptible to artifacts, resulting in a low signal-to-noise ratio which makes extraction of meaningful neural information challenging. Artifact Subspace Reconstruction (ASR) is one of the most widely used artifact filtering techniques in EEG-based BCI applications, owing to its real-time applicability. ASR reconstructs artifact-free signals by operating in Principal Component (PC) space within sliding windows. However, ASR performance is critically sensitive to its threshold parameter - an incorrect threshold risks removing task-relevant neural features alongside artifacts. Furthermore, since PCs are linear combinations of all channels, subspace reconstruction in PC space may alter the underlying data structure, potentially discarding essential neural information. To address these limitations, we propose nASR, a novel end-to-end trainable Keras layer that jointly optimizes artifact rejection and downstream decoding. nASR introduces two trainable threshold parameters: K, which governs artifact detection in PC variance space, and L, which quantifies eigen-spread to pinpoint the primary artifact--contributing channels, enabling selective channel-level reconstruction that preserves clean channel information. An ablation study comprising five model variants (m01 - m05), evaluated across two subjects from the BCI Competition IV Dataset 1, confirms that nASR variants consistently outperform traditional ASR on test classification metrics, while achieving a 6-8x reduction in inference time, making nASR a strong candidate for real-time BCI applications demanding both low latency and high decoding performance.
Authors: Loris Belcastro, Francesco Gervino, Fabrizio Marozzo, Domenico Talia, Paolo Trunfio
Abstract: Every day, users generate digital traces (e.g., social media posts, chats, and online interactions) that are inherently timestamped and may reflect aspects of their mental state. These traces can be organized into temporal trajectories that capture how a user's mental health signals evolve, including phases of improvement, deterioration, or stability. In this work, we propose an explainable framework for detecting and analyzing depression-related status shifts in user digital traces. The approach combines multiple BERT-based models to extract complementary signals across different dimensions (e.g., sentiment, emotion, and depression severity). Such signals are then aggregated over time to construct user-level trajectories that are analyzed to identify meaningful change points. To enhance interpretability, the framework integrates a large language model to generate concise and human-readable reports that describe the evolution of mental-health signals and highlight key transitions. We evaluate the framework on two social media datasets. Results show that the approach produces more coherent and informative summaries than direct LLM-based reporting, achieving higher coverage of user history, stronger temporal coherence, and improved sensitivity to change points. An ablation study confirms the contribution of each component, particularly temporal modeling and segmentation. Overall, the method provides an interpretable view of mental health signals over time, supporting research and decision making without aiming at clinical diagnosis.
Authors: Mehrdad Momen-Tayefeh, Mehrshad Momen-Tayefeh, Maryam Sabbaghian
Abstract: Intelligent Reflecting Surfaces (IRSs) are a promising technology for enhancing the spectral and energy efficiency of millimeter-wave (mmWave) multiple-input multiple-output (MIMO) systems. In these systems, accurate channel estimation remains challenging due to the passive nature of IRS elements and the high pilot overhead in large-scale deployments. This paper presents a deep learning-based Multi-Block Attention (MBA) framework for efficient cascaded channel estimation in IRS-assisted mmWave MIMO systems that utilize orthogonal frequency division multiplexing (OFDM). First, we show the optimality of the discrete Fourier transform (DFT) and Hadamard matrices as phase configurations for least squares (LS) estimation. To reduce training overhead, we selectively deactivate IRS elements and compensate for induced feature loss using a two-stage architecture: (i) a Convolutional Attention Network (CAN) for spatial correlation recovery and (ii) a Complex Multi-Convolutional Network (CMN) for noise suppression. The MBA architecture mitigates error propagation through attention-guided feature refinement and denoising. Simulation results indicate that the MBA method reduces pilot overhead by up to 87% compared to the LS estimator. Additionally, at signal-to-noise ratios of 10 dB, our proposed method achieves approximately 51% lower normalized mean squared error (NMSE) than leading methods. It also maintains low computational complexity and adapts effectively to various propagation environments.
Authors: KiHyun Nam, Jungwoo Heo, Siu Bae, Ha-Jin Yu, Joon Son Chung
Abstract: As audio-first agents become increasingly common in physical AI, conversational robots, and screenless wearables, audio large language models (audio-LLMs) must integrate speaker-specific understanding to support user authorization, personalization, and context-aware interaction. This requires modeling who is speaking, how the voice sounds, and how recording conditions affect speaker cues. Conventional speaker verification systems provide strong scalar scores but little linguistic evidence, while current audio-LLMs and speaker-aware language models have limited ability to organize speaker information beyond binary labels or descriptive profiles. We present SpeakerLLM, a speaker-specialized audio-LLM framework that unifies single-utterance speaker profiling, recording-condition understanding, utterance-pair speaker comparison, and evidence-organized verification reasoning within a natural-language interface. We construct verification-reasoning targets and a decision-composition policy that separate profile-level evidence from the final same-or-different decision and organize recording condition, profile evidence, and the decision into a structured trace. At its core, SpeakerLLM uses a hierarchical speaker tokenizer designed to capture multiple granularities of speaker evidence. Utterance-level speaker embeddings summarize identity and profile-level cues, whereas frame-level speaker features preserve fine-grained acoustic descriptors. Experiments show that SpeakerLLM-Base improves speaker-profile and recording-condition understanding over general audio-LLMs, while SpeakerLLM-VR preserves strong generated-verdict accuracy and produces decision traces grounded in the supervised verification reasoning schema. We will release the metadata-enriched supervision dataset and target-construction code for reproducibility.
Authors: Guangyu Feng, Huanzhi Mao, Prabal Dutta, Joseph E. Gonzalez
Abstract: Function calling, also known as tool use, is a core capability of modern LLM agents but is typically constrained by synchronous execution semantics. Under these semantics, LLM decoding is blocked until each function call completes, resulting in increasing end-to-end latency. In this work, we introduce AsyncFC, a pure execution-layer framework that decouples LLM decoding from function execution, enabling overlap between model decoding and function execution as well as inter-function parallelism when dependencies permit. AsyncFC layers over existing models and unmodified function implementations, requiring no fine-tuning or changes to the standard synchronous function-calling protocol. Across standard function-calling benchmarks and adapted software engineering benchmarks, AsyncFC significantly reduces end-to-end task completion time while preserving task accuracy. Furthermore, these results reveal that LLMs possess a native capability to reason over symbolic futures that represent unresolved execution results, enabling an asynchronous paradigm for model-tool interaction.
Authors: Libin Zhu, Damek Davis, Dmitriy Drusvyatskiy, Maryam Fazel
Abstract: We study a prototypical situation when a learned predictor can discover useful low-dimensional structure in data, while using fewer samples than are needed for accurate prediction. Specifically, we consider the problem of recovering a multi-index polynomial $f^*(x)=h(Ux)$, with $U\in\mathbb{R}^{r\times d}$ and $r\ll d$, from finitely many data/label pairs. Importantly, the target function depends on input $x$ only through the projection onto an unknown $r$-dimensional central subspace. The algorithm we analyze is appealingly simple: fit kernel ridge regression (KRR) to the data and compute the Average Gradient Outer Product (AGOP) from the fitted predictor. Our main results show that under reasonable assumptions the top $r$-dimensional eigenspace of AGOP provably recovers the central subspace, even in regimes when the prediction error remains large. Specifically, if the target function $f^*$ has degree $p^*$, it is known that $n\asymp d^{p^*}$ samples are necessary for KRR to achieve accurate prediction. In contrast, we show that if a low degree $p$ component of $f^*$ already carries all relevant directions for prediction, subspace recovery occurs in the much lower sample regime $n\asymp d^{p+\delta}$ for any $\delta\in(0,1)$. Our results thus demonstrate a separation between prediction and representation, and provide an explanation for why iterative kernel methods such as Recursive Feature Machines (RFM) can be sample-efficient in practice.
Authors: D\'aniel Pfeifer, \'Abrah\'am Papp, Tibor Bern\'ath, Tam\'as Zolt\'an Varga, M\'ark Czifra, Botond Szil\'agyi, Edith Alice Kov\'acs
Abstract: Nowadays refinery optimization utilizes sheer amounts of data, which can be handled with modern Linear Programming (LP) software, but the interpreting and applying the results remains challenging. Large petrochemical companies use massive models, with hundreds of thousands of input matrix elements. The LP solution is mathematically correct, but simplifications are made in the model, and data supply errors may occur. Therefore, further insight is needed to trust the results. The LP solver does not have a memory, so additional understanding could be gained by analyzing historical data and comparing it to the current plan. As such, machine learning approaches were suggested to support decision making based on the LP solution. Among these, Anomaly Detection tools are proposed to be used in tandem with the LP output. A transformed version of the popular ECOD methodology is applied. New methods are proposed to handle high-dimensional data: choosing the most informative pairs. Then, this is used alongside two 2D Anomaly Detection algorithms, revealing several business opportunities and data supply errors in the MOL refinery scheduling and planning architecture.
Authors: Connor Douglas, Joel Persson, Foster Provost
Abstract: Off-policy evaluation (OPE) estimates the value of a target treatment policy (e.g., a recommender system) using data collected by a different logging policy. It enables high-stakes experimentation without live deployment, yet in practice accuracy depends heavily on the logging policy used to collect data for computing the estimate. We study how to design logging policies that minimize OPE error for given target policies. We characterize a fundamental reward-coverage tradeoff: concentrating probability mass on high-reward actions reduces variance but risks missing signal on actions the target policy may take. We propose a unifying framework for logging policy design and derive optimal policies in canonical informational regimes where the target policy and reward distribution are (i) known, (ii) unknown, and (iii) partially known through priors or noisy estimates at logging time. Our results provide actionable guidance for firms choosing among multiple candidate recommendation systems. We demonstrate the importance of treatment selection when gathering data for OPE, and describe theoretically optimal approaches when this is a firm's primary objective. We also distill practical design principles for selecting logging policies when operational constraints prevent implementing the theoretical optimum.
Authors: Michael Baumgartner, David M\"uller, Agon Serifi, Ruben Grandia, Espen Knoop, Markus Gross, Moritz B\"acher
Abstract: Robust state estimation for highly dynamic motion of legged robots remains challenging, especially in dynamic, contact-rich scenarios. Traditional approaches often rely on binary contact states that fail to capture the nuances of partial contact or directional slippage. This paper presents CoCo-InEKF, a differentiable invariant extended Kalman filter that utilizes continuous contact velocity covariances instead of binary contact states. These learned covariances allow the method to dynamically modulate contact confidence, accounting for more nuanced conditions ranging from firm contact to directional slippage or no contact. To predict these covariances for a set of predefined contact candidate points, we employ a lightweight neural network trained end-to-end using a state-error loss. This approach eliminates the need for heuristic ground-truth contact labels. In addition, we propose an automated contact candidate selection procedure and demonstrate that our method is insensitive to their exact placement. Experiments on a bipedal robot demonstrate a superior accuracy-efficiency tradeoff for linear velocity estimation, as well as improved filter consistency compared to baseline methods. This enables the robust execution of challenging motions, including dancing and complex ground interactions -- both in simulation and in the real world.
Authors: Lanxin Xiang, Liang Shi, Youhui Ye, Boyu Jiang, Dawei Zhou, Feng Guo
Abstract: Feature attribution analysis is critical for interpreting machine learning models and supporting reliable data-driven decisions. However, feature attribution measures often exhibit stochastic variation: different train--test splits, random seeds, or model-fitting procedures can produce substantially different attribution values and feature rankings. This paper proposes a framework for incorporating stochastic nature of feature attribution and a robust attribution metric, RoSHAP, for stable feature ranking based on the SHAP metric. The proposed framework models the distribution of feature attribution scores and estimates it through bootstrap resampling and kernel density estimation. We show that, under mild regularity conditions, the aggregated feature attribution score is asymptotically Gaussian, which greatly reduces the computational cost of distribution estimation. The RoSHAP summarizes the distribution of SHAP into a robust feature-ranking criterion that simultaneously rewards features that are active, strong, and stable. Through simulations and real-data experiments, the proposed framework and RoSHAP outperform standard single-run attribution measures in identifying signal features. In addition, models built using RoSHAP-selected features achieve predictive performance comparable to full-feature models while using substantially fewer predictors. The proposed RoSHAP approach improves the stability and interpretability of machine learning models, enabling reliable and consistent insights for analysis.
Authors: Ryan Wei Heng Quek, Sanghyuk Lee, Alfred Wei Lun Leong, Arun Verma, Alok Prakash, Nancy F. Chen, Bryan Kian Hsiang Low, Daniela Rus, Armando Solar-Lezama
Abstract: Large language models (LLMs) achieve strong performance across a wide range of tasks, but remain frozen after pretraining until subsequent updates. Many real-world applications require timely, domain-specific information, motivating the need for efficient mechanisms to incorporate new knowledge. In this paper, we introduce MeMo (Memory as a Model), a modular framework that encodes new knowledge into a dedicated memory model while keeping the LLM parameters unchanged. Compared to existing methods, MeMo offers several advantages: (a) it captures complex cross-document relationships, (b) it is robust to retrieval noise, (c) it avoids catastrophic forgetting in the LLM, (d) it does not require access to the LLM's weights or output logits, enabling plug-and-play integration with both open and proprietary closed-source LLMs, and (e) its retrieval cost is independent of corpus size at inference time. Our experimental results on three benchmarks, BrowseComp-Plus, NarrativeQA, and MuSiQue, show that MeMo achieves strong performance compared to existing methods across diverse settings.
Authors: Zhuohang Li, Liqun Huang, Wei Xu, Zhengming Zhu, Nie Lin, Xiao Ma, Xinjun Sheng, Ruoshi Wen
Abstract: Vision-Language-Action (VLA) models are prone to compounding errors in dexterous manipulation, where high-dimensional action spaces and contact-rich dynamics amplify small policy deviations over long horizons. While Interactive Imitation Learning (IIL) can refine policies through human takeover data, applying it to high-degree-of-freedom (DoF) robotic hands remains challenging due to a command mismatch between human teleoperation and policy execution at the takeover moment, which causes abrupt robot-hand configuration changes, or "gesture jumps". We present Hand-in-the-Loop (HandITL), a seamless human-in-the-loop intervention method that blends human corrective intent with autonomous policy execution to avoid gesture jumps during bimanual dexterous manipulation. Compared with direct teleoperation takeover, HandITL reduces takeover jitter by 99.8% and preserves robust post-takeover manipulation, reducing grasp failures by 87.5% and mean completion time by 19.1%. We validate HandITL on tasks requiring bimanual coordination, tool use, and fine-grained long-horizon manipulation. When used to collect intervention data for policy refinement, HandITL yields policies that outperform those trained with standard teleoperation data by 19% on average across three long-horizon dexterous tasks.
Authors: Sayantan Kumar, Shahriar Noroozizadeh, Juyong Kim, Jeremy C. Weiss
Abstract: Reconstructing precise clinical timelines is essential for modeling patient trajectories and forecasting risk in complex, heterogeneous conditions like sepsis. While unstructured clinical narratives offer semantically rich and contextually complete descriptions of a patient's course, they often lack temporal precision and contain ambiguous event timing. Conversely, structured electronic health record (EHR) data provides precise temporal anchors but misses a substantial portion of clinically meaningful events. We introduce a retrieval-augmented multimodal alignment framework that bridges this gap to improve the temporal precision of absolute clinical timelines extracted from text. Our approach formulates timeline reconstruction as a graph-based multistep process: it first extracts central anchor events from narratives to build an initial temporal scaffold, places non-central events relative to this backbone, and then calibrates the timeline using retrieved structured EHR rows as external temporal evidence. Evaluated using instruction-tuned large language models on the i2m4 benchmark spanning MIMIC-III and MIMIC-IV, our multimodal pipeline consistently improves absolute timestamp accuracy (AULTC) and improves temporal concordance across nearly all evaluated models over unimodal text-only reconstruction, without compromising event match rates. Furthermore, our empirical gap analysis reveals that 34.8% of text-derived events are entirely absent from tabular records, demonstrating that aligning these modalities can produce a more temporally faithful and clinically informative reconstruction of patient trajectories than either source alone.
Authors: Chenyu Lian, Hong-Yu Zhou, Jing Qin
Abstract: Disease screening is critical for early detection and timely intervention in clinical practice. However, most current screening models for medical images suffer from limited interpretability and suboptimal performance. They often lack effective mechanisms to reference historical cases or provide transparent reasoning pathways. To address these challenges, we introduce EviScreen, an evidential reasoning framework for disease screening that leverages region-level evidence from historical cases. The proposed EviScreen offers retrospection interpretability through regional evidence retrieved from dual knowledge banks. Using this evidential mechanism, the subsequent evidence-aware reasoning module makes predictions using both the current case and evidence from historical cases, thereby enhancing disease screening performance. Furthermore, rather than relying on post-hoc saliency maps, EviScreen enhances localization interpretability by leveraging abnormality maps derived from contrastive retrieval. Our method achieves superior performance on our carefully established benchmarks for real-world disease screening, yielding notably higher specificity at clinical-level recall. Code is publicly available at https://github.com/DopamineLcy/EviScreen.
Authors: Xiang Fan, Yuheng Wang, Bohan Fang, Zhongzheng Ren, Ranjay Krishna
Abstract: Video generation powers a vast array of downstream applications. However, while the de facto standard, i.e., latent diffusion models, typically employ heavily conditioned denoising networks, their decoders often remain unconditional. We observe that this architectural asymmetry leads to significant loss of detail and inconsistency relative to the input image. To address this, we argue that the decoder requires equal conditioning to preserve structural integrity. We introduce RefDecoder, a reference-conditioned video VAE decoder by injecting high-fidelity reference image signal directly into the decoding process via reference attention. Specifically, a lightweight image encoder maps the reference frame into the detail-rich high-dimensional tokens, which are co-processed with the denoised video latent tokens at each decoder up-sampling stage. We demonstrate consistent improvements across several distinct decoder backbones (e.g., Wan 2.1 and VideoVAE+), achieving up to +2.1dB PSNR over the unconditional baselines on the Inter4K, WebVid, and Large Motion reconstruction benchmarks. Notably, RefDecoder can be directly swapped into existing video generation systems without additional fine-tuning, and we report across-the-board improvements in subject consistency, background consistency, and overall quality scores on the VBench I2V benchmark. Beyond I2V, RefDecoder generalizes well to a wide range of visual generation tasks such as style transfer and video editing refinement.
Authors: Ruijia Niu, Dongxia Wu, Rose Yu, Yi-An Ma
Abstract: Accurate uncertainty quantification in large language models (LLMs) is essential for reliable confidence estimation, yet fine-tuned LLMs often become overconfident under limited adaptation data. Existing uncertainty methods for PEFT-based LLMs are largely post hoc, estimating uncertainty after fine-tuning rather than improving how adapters specialize to task-specific input-output relationships. We propose Functional-Level Uncertainty Quantification for Calibrated Fine-Tuning (UQ4CT), which calibrates uncertainty over the functional space induced by prompt-dependent mixtures of LoRA experts. UQ4CT implements this perspective through a mixture-of-experts fine-tuning framework, where a calibration loss aligns functional-level confidence with predictive correctness during training. Across four multiple-choice benchmarks and two open-ended generative QA tasks, UQ4CT reduces Expected Calibration Error (ECE) by over $25\%$ while preserving high accuracy. Under distribution shift, UQ4CT maintains superior calibration and competitive accuracy, demonstrating improved reliability and generalization for fine-tuned LLMs.
Authors: Alexis Bose, Jonathan Ethier, Paul Guinand
Abstract: This paper introduces multimodal conformal regression. Traditionally confined to scenarios with solely numerical input features, conformal prediction is now extended to multimodal contexts through our methodology, which harnesses internal features from complex neural network architectures processing images and unstructured text. Our findings highlight the potential for internal neural network features, extracted from convergence points where multimodal information is combined, to be used by conformal prediction to construct prediction intervals (PIs). This capability paves new paths for deploying conformal prediction in domains abundant with multimodal data, enabling a broader range of problems to benefit from guaranteed distribution-free uncertainty quantification.
Authors: Zhiliang Chen, Gregory Kang Ruey Lau, Chuan-Sheng Foo, Bryan Kian Hsiang Low
Abstract: The performance of an LLM depends heavily on the relevance of its training data to the downstream evaluation task. However, in practice, the data involved in an unseen evaluation task is often unknown (e.g., conversations between an LLM and a user are end-to-end encrypted). Hence, it is unclear what data are relevant for fine-tuning the LLM to maximize its performance on the specific unseen evaluation task. Instead, one can only deploy the LLM on the unseen task to gather multiple rounds of feedback on how well the model performs (e.g., user ratings). This novel setting offers a refreshing perspective towards optimizing training data mixtures via feedback from an unseen evaluation task, which prior data mixing and selection works do not consider. Our paper presents DUET, a novel global-to-local algorithm that interleaves influence function as a data selection method with Bayesian optimization to optimize data mixture via feedback from a specific unseen evaluation task. By analyzing DUET's cumulative regret, we theoretically show that DUET converges to the optimal training data mixture for an unseen task even without any data knowledge of the task. Finally, our experiments across a variety of language tasks demonstrate that DUET outperforms existing data selection and mixing methods in the unseen-task setting.
Authors: Jathurshan Pradeepkumar, Xihao Piao, Zheng Chen, Jimeng Sun
Abstract: Foundation models are reshaping EEG analysis, yet an important problem of EEG tokenization remains a challenge. This paper presents TFM-Tokenizer, a novel tokenization framework that learns a vocabulary of time-frequency motifs from single-channel EEG signals and encodes them into discrete tokens. We propose a dual-path architecture with time-frequency masking to capture robust motif representations, and it is model-agnostic, supporting both lightweight transformers and existing foundation models for downstream tasks. Our study demonstrates three key benefits: Accuracy: Experiments on four diverse EEG benchmarks demonstrate consistent performance gains across both single- and multi-dataset pretraining settings, achieving up to $11\%$ improvement in Cohen's Kappa over strong baselines. Generalization: Moreover, as a plug-and-play component, it consistently boosts the performance of diverse foundation models, including BIOT and LaBraM. Scalability: By operating at the single-channel level rather than relying on the strict 10-20 EEG system, our method has the potential to be device-agnostic. Experiments on ear-EEG sleep staging, which differs from the pretraining data in signal format, channel configuration, recording device, and task, show that our tokenizer outperforms baselines by $14\%$. A comprehensive token analysis reveals strong class-discriminative, frequency-aware, and consistent structure, enabling improved representation quality and interpretability. Code is available at https://github.com/Jathurshan0330/TFM-Tokenizer.
Authors: Nazia Nafis, Inaki Esnaola, Alvaro Martinez-Perez, Maria-Cruz Villa-Uriol, Venet Osmani
Abstract: Generating synthetic tabular health data is challenging, and evaluating their quality is equally, if not more, complex. This systematic review highlights the critical importance of rigorous evaluation of synthetic health data to ensure reliability, clinical relevance, and appropriate use. From an initial identification of 2067 relevant papers published in the last ten years, 134 studies were selected for detailed analysis. Our review identifies key challenges, including lack of consensus on evaluation methods, inconsistent application of evaluation metrics, limited involvement of domain experts, inadequate reporting of dataset characteristics, and limited reproducibility of results. In response, we provide a structured consolidation of synthetic data generation and evaluation methods into taxonomies, alongside practical guidelines to support more robust and standardised evaluation practices. These findings aim to support the responsible development and use of synthetic health data, aligned with emerging expectations around transparency, reproducibility, and governance, ultimately enabling the community to fully harness its transformative potential and accelerate innovation.
Authors: Zhiqiang He, Zhi Liu
Abstract: Adaptive video streaming optimizes Quality of Experience (QoE) metrics by selecting appropriate bitrates according to varying network bandwidth and user demands. In practice, however, real-world network bandwidth often exhibits heterogeneity relative to training environments. Current methods predominantly tackle this problem through learning-based approaches designed to improve generalization performance. While our systematic investigation reveals a critical limitation: neural networks suffer from plasticity loss, significantly impeding their ability to adapt to heterogeneous network conditions. Through theoretical analysis of neural propagation mechanisms, we demonstrate that existing dormant neuron metrics inadequately characterize neural plasticity loss. To address this limitation, we have developed the Silent Neuron theory, which provides a more comprehensive framework for understanding plasticity degradation. Based on these theoretical insights, we propose the Reset Silent Neuron (ReSiN), which preserves neural plasticity through strategic neuron resets guided by both forward and backward propagation states. Moreover, we establish a tighter performance bound for ReSiN under non-stationary network conditions. In our implementation of an adaptive video streaming system, ReSiN has shown significant improvements over existing solutions, achieving up to 168% higher bitrate and 108% better quality of experience (QoE) while maintaining comparable smoothness. Furthermore, ReSiN consistently outperforms in stationary environments, demonstrating its robust adaptability across different network conditions.
Authors: Michael Theologitis, Vasilis Samoladas, Antonios Deligiannakis
Abstract: Federated Learning (FL) enables the utilization of vast, previously inaccessible data sources. At the same time, pre-trained Language Models (LMs) have taken the world by storm and for good reason. They exhibit remarkable emergent abilities and are readily adapted to downstream tasks. This opens one of the most exciting frontiers in FL: fine-tuning LMs. Yet, a persistent challenge in FL is the frequent, rigid communication of parameters -- a problem magnified by the sheer size of these contemporary models. The FedOpt family of algorithms has become the go-to approach for FL, relying on fixed but arbitrary intervals for model exchanges. Recently, the FDA algorithm prescribed a dynamic approach by monitoring the training progress. However, it introduced a hard-to-calibrate parameter and imposed a rigid synchronization scheme. In this work, we address these limitations by proposing the FDA-Opt family of algorithms -- a unified generalization of both FDA and FedOpt. Our experimental evaluation focuses on fine-tuning LMs on downstream NLP tasks and demonstrates that FDA-Opt outperforms FedOpt even when it is configured with hyper-parameters specifically optimized for the latter. In other words, we show that FDA-Opt is a practical, drop-in replacement for FedOpt in modern FL libraries and systems: it requires no additional configuration and delivers superior performance out of the box.
Authors: Eli Chien, Wei-Ning Chen, Pan Li
Abstract: Zeroth-order optimization has emerged as a promising approach for fine-tuning large language models under differential privacy (DP) and memory constraints. While privacy amplification by iteration (PABI) provides convergent DP bounds for first-order methods, establishing similar guarantees for zeroth-order methods remains an open problem. First-order PABI analysis relies on the fact that gradients are perturbed with isotropic noise, allowing privacy bounds to be iteratively tracked via shifted R\'enyi divergence. In contrast, DP zeroth-order methods inject scalar noise along random update directions to maintain utility. This anisotropic update fails standard shifted divergence frameworks, as the global Lipschitz property no longer holds almost surely. We provide the first convergent hidden-state DP bound for zeroth-order optimization by proposing a hybrid noise mechanism and a novel coupling analysis. We bypass the purely shifted-divergence approach by constructing a coupled auxiliary process, which circumvents the global Lipschitz barrier and yields a convergent privacy bound. Furthermore, our results induce better DP zeroth-order algorithmic designs that are previously unknown to the literature.
Authors: Yunpeng Qing, Yixiao Chi, Shuo Chen, Shunyu Liu, Kexuan Zhou, Sixu Lin, Litao Liu, Changqing Zou
Abstract: Recent advances in offline Reinforcement Learning (RL) have proven that effective policy learning can benefit from imposing conservative constraints on pre-collected datasets. However, such static datasets often exhibit distribution bias, resulting in limited generalizability. To address this limitation, a straightforward solution is data augmentation (DA), which leverages generative models to enrich data distribution. Despite the promising results, current DA techniques focus solely on reconstructing future trajectories from given states, while ignoring the exploration of history transitions that reach them. This single-direction paradigm inevitably hinders the discovery of diverse behavior patterns, especially those leading to critical states that may have yielded high-reward outcomes. In this work, we introduce Bidirectional Trajectory Diffusion (BiTrajDiff), a novel DA framework for offline RL that models both future and history trajectories from any intermediate states. Specifically, we decompose the trajectory generation task into two independent yet complementary diffusion processes: one generating forward trajectories to predict future dynamics, and the other generating backward trajectories to trace essential history transitions.BiTrajDiff can efficiently leverage critical states as anchors to expand into potentially valuable yet underexplored regions of the state space, thereby facilitating dataset diversity. Extensive experiments on the D4RL benchmark suite demonstrate that BiTrajDiff achieves superior performance compared to other advanced DA methods across various offline RL backbones.
Authors: Jiamin He, A. Rupam Mahmood, Martha White
Abstract: We introduce a novel reinforcement learning (RL) framework that treats parameterized action distributions as actions, redefining the boundary between agent and environment. This reparameterization makes the new action space continuous, regardless of the original action type (discrete, continuous, hybrid, etc.). Under this new parameterization, we develop a generalized deterministic policy gradient estimator, Distributions-as-Actions Policy Gradient (DA-PG), which has lower variance than the gradient in the original action space. Although learning the critic over distribution parameters poses new challenges, we introduce Interpolated Critic Learning (ICL), a simple yet effective strategy to enhance learning, supported by insights from bandit settings. Building on TD3, a strong baseline for continuous control, we propose a practical actor-critic algorithm, Distributions-as-Actions Actor-Critic (DA-AC). Empirically, DA-AC achieves competitive performance in various settings across discrete, continuous, and hybrid control.
Authors: Alexis-Raja Brachet, Pierre-Yves Richard, C\'eline Hudelot
Abstract: While deep learning is facing an homogenization across modalities led by Transformers, they are still challenged by shallow linear models in the time series forecasting task. Our hypothesis is that models should learn a direct link from past to future data points, which we identify as a learning dynamics capability. We develop an original $\texttt{PRO-DYN}$ nomenclature to analyze existing models through the lens of dynamics. Two observations thus emerge: $\textbf{1.}$ under-performing architectures learn dynamics at most partially, $\textbf{2.}$ the location of the dynamics block at the model end is of prime importance. Our systemic and empirical studies both confirm our observations on a set of performance-varying models with diverse backbones. We propose a simple plug-and-play methodology guiding model designs and improvements.
Authors: Xubin Fang, Rick S. Blum, Franziska Freytag
Abstract: Recent publications have suggested using the Shapley value for anomaly localization for sensor data systems. Using a reasonable mathematical anomaly model for full control, experiments indicate that using a single fixed term in the Shapley value calculation achieves a lower complexity anomaly localization test, with the same probability of error, as a test using the Shapley value for all cases tested. A proof demonstrates these conclusions must be true for all independent observation cases. For dependent observation cases, no proof is available.
Authors: Kaiwen Chen, Xin Tan, Minchen Yu, Jingzong Li, Hong Xu
Abstract: Large Reasoning Models (LRMs) are becoming integral to many AI inference systems, enhancing their capabilities with advanced reasoning. However, deploying these models in production environments presents a significant QoS challenge: the substantial memory overhead from their long, auto-regressive inference processes severely limits throughput and increases latency, thereby affecting the quality of service for concurrent users. We observe that LRMs frequently generate highly similar intermediate reasoning steps, which, in turn, correspond to highly similar KV cache states across layers. Building on this insight, we propose ReasonCache, a novel KV cache management approach designed to improve the QoS of AI inference systems. ReasonCache utilizes a Collaborative Filtering Algorithm to efficiently identify reusable KV cache blocks and enables zero-copy cache reuse. Experimental evaluation demonstrates that ReasonCache achieves a peak throughput improvement of 89.2% and an average gain of 40-60%, leading to more responsive and cost-effective AI inference services. Notably, this performance is achieved while maintaining higher accuracy compared to existing KV cache management techniques.
Authors: Xinting Huang, Michael Hahn
Abstract: Understanding internal representations of neural models is a core interest of mechanistic interpretability. Due to its large dimensionality, the representation space can encode various aspects about inputs. To what extent are different aspects organized and encoded in separate subspaces? Is it possible to find these ``natural'' subspaces in a purely unsupervised way? Somewhat surprisingly, we can indeed achieve this and find interpretable subspaces by a seemingly unrelated training objective. Our method, neighbor distance minimization (NDM), learns non-basis-aligned subspaces in an unsupervised manner. Qualitative analysis shows subspaces are interpretable in many cases, and encoded information in obtained subspaces tends to share the same abstract concept across different inputs, making such subspaces similar to ``variables'' used by the model. We also conduct quantitative experiments using known circuits in GPT-2; results show a strong connection between subspaces and circuit variables. We also provide evidence showing scalability to 2B models by finding separate subspaces mediating context and parametric knowledge routing. Viewed more broadly, our findings offer a new perspective on understanding model internals and building circuits.
Authors: Joon-Hyun Park, Mujin Cheon, Jeongsu Wi, Dong-Yeun Koh
Abstract: The performance of Bayesian optimization (BO), a highly sample-efficient method for expensive black-box problems, is critically governed by the selection of its hyperparameters, including the kernel and acquisition functions. This presents a significant practical challenge: an inappropriate combination of these can lead to poor performance and wasted evaluations. While individual improvements to kernel functions and acquisition functions have been actively explored, the joint and autonomous selection of the best pair of these fundamental hyperparameters has been largely overlooked. This forced practitioners to rely on heuristics or costly manual training. In this work, we propose a framework, BOOST (Bayesian Optimization with Optimal Kernel and Acquisition Function Selection Technique), that automates this selection. BOOST utilizes a simple offline evaluation stage to predict the performance of various kernel-acquisition function pairs and identify the most promising pair before committing to the expensive evaluation process. BOOST is a data-driven strategy selection procedure that evaluates kernel-acquisition pairs based on their empirical performance on the data-in-hand. At each iteration, previously observed points are partitioned into a reference set and a query set. These subsets play roles analogous to training and validation sets in machine learning: the reference set is used for model construction, while the query set represents unseen regions to retrospectively evaluate how effectively each candidate strategy progresses toward the target value. Experiments on synthetic benchmarks and machine learning hyperparameter optimization tasks demonstrate that BOOST consistently improves over fixed-hyperparameter BO and remains competitive with state-of-the-art adaptive methods, highlighting its robustness across diverse landscapes.
Authors: Jizu Huang, Yue Qiu, Rukang You
Abstract: Tensor neural networks (TNNs) have demonstrated their superiority in solving high-dimensional problems. However, similar to conventional neural networks, TNNs are also influenced by the Frequency Principle, which limits their ability to accurately capture high-frequency features of the solution. In this work, we analyze the training dynamics of TNNs by Fourier analysis and enhance their expressivity for high-dimensional multi-scale problems by incorporating random Fourier features. Leveraging the inherent tensor structure of TNNs, we further propose a novel approach to extract frequency features of high-dimensional functions by performing the Discrete Fourier Transform to one-dimensional component functions. This strategy effectively mitigates the curse of dimensionality. Building on this idea, we propose a frequency-adaptive TNNs algorithm, which significantly improves the ability of TNNs in solving complex multi-scale problems. Extensive numerical experiments are performed to validate the effectiveness and robustness of the proposed frequency-adaptive TNNs algorithm.
Authors: Qiyun Cheng, Md Hossain Sahadath, Huihua Yang, Shaowu Pan, Wei Ji
Abstract: The computational overhead of traditional numerical solvers for partial differential equations (PDEs) remains a critical bottleneck for large-scale parametric studies and design optimization. We introduce a Minimal-Data Parametric Neural Operator Preconditioning (MD-PNOP) framework, which establishes a new strategy for accelerating parametric PDE solvers while strictly preserving physical constraints. To address the extrapolation limitation of neural operators, parameter-induced operator difference is recast as additional source terms and incorporated into an iterative solution scheme using a pretrained neural operator. This equation-recast formulation enables systematic parameter extrapolation from a single training configuration to a broad range of unseen parameter settings without retraining. The neural operator predictions are then embedded into iterative PDE solvers as improved initial guesses, thereby reducing convergence iterations without sacrificing accuracy. Unlike purely data-driven approaches, MD-PNOP guarantees that the governing equations remain fully enforced, eliminating concerns regarding loss of physics or interpretability. The framework is architecture-agnostic and is demonstrated using both DeepONet and FNO for Boltzmann transport equation solvers in neutron transport applications. Numerical results demonstrate that neural operators trained on a single set of constant parameters successfully accelerate solutions with heterogeneous, sinusoidal, and discontinuous parameter distributions. Moreover, MD-PNOP consistently achieves approximately 50% reduction in computational time while maintaining full-order fidelity for fixed-source, single-group eigenvalue, and multigroup coupled eigenvalue problems.
Authors: Yutong Xia, Chang Xu, Yuxuan Liang, Li Zhao, Qingsong Wen, Roger Zimmermann, Jiang Bian
Abstract: Time series generation (TSG) synthesizes realistic sequences and has achieved remarkable success. Among TSG, conditional models generate sequences given observed covariates, however, such models learn observational correlations without considering unobserved confounding. In this work, we propose a causal perspective on conditional TSG and introduce causal time series generation as a new TSG task family, formalized within Pearl's causal ladder, extending beyond observational generation to include interventional and counterfactual settings. To instantiate these tasks, we develop CaTSG, a unified diffusion-based framework with backdoor-adjusted guidance that causally steers sampling toward desired interventions and individual counterfactuals while preserving observational fidelity. Specifically, our method derives causal score functions via backdoor adjustment and the abduction-action-prediction procedure, thus enabling principled support for all three levels of TSG. Extensive experiments on both synthetic and real-world datasets show that CaTSG achieves superior fidelity and also supporting interventional and counterfactual generation that existing baselines cannot handle. Overall, we propose the causal TSG family and instantiate it with CaTSG, providing an initial proof-of-concept and opening a promising direction toward more reliable simulation under interventions and counterfactual generation.
Authors: Kun Feng, Shaocheng Lan, Yuchen Fang, Wenchao He, Sihan Lu, Shuqi Gu, Lintao Ma, Xingyu Lu, Kan Ren
Abstract: Inherent temporal heterogeneity, such as varying sampling densities and periodic structures, has posed substantial challenges in zero-shot generalization for Time Series Foundation Models (TSFMs). Existing TSFMs predominantly rely on massive parameterization to absorb such heterogeneity, as their static tokenization and positional encoding schemes entangle diverse temporal patterns into a fixed representation space, encouraging memorization rather than adaptation. To address this limitation, we propose Kairos, a flexible and parameter-efficient TSFM dedicated to forecasting tasks, which decouples temporal heterogeneity from model capacity through a novel tokenization perspective. Kairos introduces a dynamic patching tokenizer and a mixture-of-size encoding that adapt observational granularity to local information density, enabling fine-grained temporal abstraction without increasing model width or depth. In addition, we design a multi-granularity positional embedding based on dynamic rotary encodings, which conditions on instance-level spectral features and temporal structure induced by dynamic patching tokenization, allowing robust modeling of diverse temporal dependencies. Trained on a novel Predictability-Stratified Time-Series (PreSTS) corpus, Kairos achieves superior zero-shot performance with substantially fewer parameters on two mainstream benchmarks, GIFT-Eval and Time-Series-Library. The project page is at https://foundation-model-research.github.io/Kairos .
Authors: Alex Chen, Renato Geh, Aditya Grover, Guy Van den Broeck, Daniel Israel
Abstract: KV cache compression promises increased throughput and efficiency with negligible loss in performance. While the gains in throughput are indisputable and recent literature has indeed shown minimal degradation on particular benchmarks, in general the consequences of compression in realistic scenarios such as multi-instruction prompting have been insufficiently studied. In this paper, we identify several pitfalls that practitioners should be aware of when deploying KV cache compressed LLMs. We evaluate five KV cache compression methods (StreamingLLM, SnapKV, TOVA, H2O, and K-Norm) on Llama3.1 8B and Qwen2.5 14B under multi-instruction prompting with IFEval. Importantly, we show that certain instructions degrade much more rapidly with compression, effectively causing them to be completely ignored by the LLM. As a practical example, we highlight system prompt leakage as a case study, empirically demonstrating the impact of compression on leakage and general instruction-following. We identify several factors that contribute to system prompt leakage: compression method, instruction order, and KV eviction bias. We then propose simple changes to KV cache eviction policies that can reduce the impact of these factors and improve the overall performance in multi-instruction tasks.
Authors: Juan Amboage, Ernst R\"oell, Patrick Schnider, Bastian Rieck
Abstract: Graph neural networks (GNNs) largely rely on the message-passing paradigm, where nodes iteratively aggregate information from their neighbors. Yet, standard message passing neural networks (MPNNs) face well-documented theoretical and practical limitations. Graph positional encoding (PE) has emerged as a promising direction to address these limitations. The Euler Characteristic Transform (ECT) is an efficiently computable geometric-topological invariant that characterizes shapes and graphs. In this work, we combine the differentiable approximation of the ECT (DECT) and its local variant ($\ell$-ECT) to propose LEAP, a new end-to-end trainable local structural PE for graphs. We evaluate our approach on multiple real-world datasets as well as on a synthetic task designed to test its ability to extract topological features. Our results underline the potential of LEAP-based encodings as a powerful component for graph representation learning pipelines.
Authors: Yihong Wu, Liheng Ma, Lei Ding, Muzhi Li, Xinyu Wang, Kejia Chen, Zhan Su, Zhanguang Zhang, Chenyang Huang, Yingxue Zhang, Mark Coates, Jian-Yun Nie
Abstract: GRPO has emerged as a prominent reinforcement learning algorithm for post-training LLMs. Unlike critic-based methods, GRPO computes advantages by estimating the \emph{value baselines} from group-level statistics, eliminating the need for a critic network. Consequently, the prevailing view emphasizes the necessity of large group sizes, which are assumed to yield more accurate statistical estimates. In this paper, we propose a different view that the efficacy of GRPO stems from its implicit contrastive objective in the optimization, which helps reduce variance via the control variate method. This makes GRPO structurally related to preference learning methods such as DPO. This perspective motivates 2-GRPO, a minimal group-size variant that constructs contrastive signals with only two rollouts. We provide a rigorous theoretical analysis of 2-GRPO and empirically validate its effectiveness: 2-GRPO retains $97.6\%$ of the performance of 16-GRPO, while requiring only $12.5\%$ of the rollouts and $21\%$ of the training time.
Authors: Santanu Subhash Rathod, Francesco Ceccarelli, Sean B. Holden, Pietro Li\`o, Xiao Zhang, Jovan Tanevski
Abstract: Inferring trajectories from longitudinal spatially-resolved omics data is fundamental to understanding the dynamics of structural and functional tissue changes in development, regeneration and repair, disease progression, and response to treatment. We propose ContextFlow, a novel context-aware flow matching framework that incorporates prior knowledge to guide the inference of structural tissue dynamics from spatially resolved omics data. Specifically, ContextFlow integrates local tissue organization and ligand-receptor communication patterns into a transition plausibility matrix that regularizes the optimal transport objective. By embedding these contextual constraints, ContextFlow generates trajectories that are not only statistically consistent but also biologically meaningful, making it a generalizable framework for modeling spatiotemporal dynamics from longitudinal, spatially resolved omics data. Evaluated on three datasets, ContextFlow consistently outperforms state-of-the-art flow matching methods across multiple quantitative and qualitative metrics of inference accuracy and biological coherence. Our code is available at: \href{https://github.com/santanurathod/ContextFlow}{ContextFlow}
Authors: Shinsaku Sakaue, Han Bao, Yuzhou Cao
Abstract: Online structured prediction, including online classification as a special case, is the task of sequentially predicting labels from input features. In this setting, the surrogate regret -- the cumulative excess of the actual target loss (e.g., the 0-1 loss) over the surrogate loss (e.g., the logistic loss) incurred by the best fixed estimator -- has gained attention because it admits a finite bound independent of the time horizon $T$. However, such guarantees break down in non-stationary environments, where every fixed estimator may incur surrogate loss that grows linearly with $T$. To address this limitation, we obtain an upper bound of $F_T + O(1 + P_T)$ on the cumulative target loss, where $F_T$ is the cumulative surrogate loss of any comparator sequence and $P_T$ is its path length. This bound depends on $T$ only through $F_T$ and $P_T$, thus offering stronger guarantees under non-stationarity. Our core idea is to combine the dynamic regret analysis of online gradient descent (OGD) with the exploit-the-surrogate-gap technique. This viewpoint sheds light on the usefulness of a Polyak-style learning rate for OGD, which systematically yields target-loss bounds and performs well empirically. We then extend our approach to broader settings beyond prior work via the convolutional Fenchel--Young loss. Finally, a lower bound shows that the dependence on $F_T$ and $P_T$ is tight.
Authors: Ning Yang, Hengyu Zhong, Haijun Zhang, Randall Berry
Abstract: Accurate spatiotemporal traffic forecasting is a critical prerequisite for proactive resource management in dense urban mobile networks. While large language models have shown promise in time series analysis, they inherently struggle to model the complex spatial dependencies of grid-based traffic data. Effectively extending large language models to this domain is challenging, as representing the vast amount of information from dense geographical grids can be inefficient and overwhelm the model's context. To address these challenges, we propose ST-Vision-LLM, a novel framework that reframes spatiotemporal forecasting as a vision-language fusion problem. Our approach leverages a Vision-LLM visual encoder to process historical global traffic matrices as image sequences, providing the model with a comprehensive global view to inform cell-level predictions. To overcome the inefficiency of large language models in handling numerical data, we introduce an efficient encoding scheme that represents floating-point values as single tokens via a specialized vocabulary, coupled with a two-stage numerical alignment fine-tuning process. The model is first trained with supervised fine-tuning and then further optimized for predictive accuracy using group relative policy optimization, a memory-efficient reinforcement learning method. Evaluations on real-world mobile traffic datasets demonstrate that ST-Vision-LLM outperforms existing methods by 15.6% in long-term prediction accuracy and exceeds the best baseline by around 30% on average in cross-domain few-shot scenarios. Our extensive experiments validate the model's strong generalization capabilities across various data-scarce environments.
Authors: Donghyeok Shin, Yeongmin Kim, Suhyeon Jo, Byeonghu Na, Il-Chul Moon
Abstract: Autoregressive large language models (LLMs) have achieved remarkable improvement across many tasks but incur high computational and memory costs. Knowledge distillation (KD) mitigates this issue by transferring knowledge from a large teacher to a smaller student through distributional alignment. Previous studies have proposed various discrepancy metrics, but the capacity gap and training instability caused by near-zero probabilities, stemming from the high-dimensional output of LLMs, remain fundamental limitations. To overcome these challenges, several approaches implicitly or explicitly incorporating assistant distribution have recently been proposed. However, the past proposals of assistant distributions have been a fragmented approach without a systematic investigation of the interpolation path and the divergence. This paper proposes $\alpha$-mixture assistant distribution, a novel generalized family of assistant distributions, and $\alpha$-mixture distillation, coined AMiD, a unified framework for KD using the assistant distribution. The $\alpha$-mixture assistant distribution provides a continuous extension of the assistant distribution by introducing a new distribution design variable $\alpha$, which has been fixed in all previous approaches. Furthermore, AMiD generalizes the family of divergences used with the assistant distributions based on optimality, which has also been restricted in previous works. Through extensive experiments, we demonstrate that AMiD offers superior performance and training stability by leveraging a broader and theoretically grounded assistant distribution space. We release the code at https://github.com/aailab-kaist/AMiD.
Authors: Yilang Zhang, Xiaodong Yang, Yiwei Cai, Georgios B. Giannakis
Abstract: As large language models (LLMs) continue to scale in size, the computational overhead has become a major bottleneck for task-specific fine-tuning. While low-rank adaptation (LoRA) effectively curtails this cost by confining the weight updates to a low-dimensional subspace, such a restriction can hinder effectiveness and slow convergence. This contribution deals with these limitations by accumulating progressively a high-rank weight update from consecutive low-rank increments. Specifically, the per update optimal low-rank matrix is identified to minimize the loss function and closely approximate full fine-tuning. To endow efficient and seamless optimization without restarting, this optimal choice is formed by appropriately scaling the columns of the original low-rank matrix. Rigorous performance guarantees reveal that the optimal scaling can be found analytically. Extensive numerical tests with popular LLMs scaling up to 12 billion parameters demonstrate a consistent performance gain and fast convergence relative to state-of-the-art LoRA variants on diverse tasks including natural language understanding, commonsense reasoning, and mathematical problem solving.
Authors: Zhichao Wang
Abstract: This paper investigates whether reward matching is a viable alternative to reward maximization methods for on-policy RL of LLMs. Group-relative Implicit Fine-Tuning (GIFT) is proposed, combining GRPO-style group sampling, DPO-style implicit reward, and UNA-style MSE between implicit and explicit advantages. By applying z-score standardization, the intractable partition function $Z(x)$ in the DPO implicit reward is canceled, and the KL coefficient $\beta$ is eliminated from the RLHF and RLVR objective. The population minimizers of $\mathcal{L}_{\text{GIFT}}$ are characterized in closed form: they coincide exactly with the GRPO/RLHF solution family $\pi^{*}_{\beta}(y|x)\propto\pi_{\text{ref}}(y|x)e^{\frac{1}{\beta}r_{\phi}(x,y)}$, with a prompt-dependent, variance-determined KL coefficient $\beta(x)=\frac{\sigma_\phi(x)}{\hat{\sigma}_\theta(x)}$. GIFT therefore solves the same parametric policy family as GRPO while replacing GRPO's externally tuned scalar $\beta$ with a prompt-adaptive $\beta(x)$ optimized endogenously by matching reward distributions. Empirically, on 7B-32B backbones, GIFT converges faster than GRPO, DAPO and GSPO and overfits less on RLVR (GSM8K, MATH, AIME) and produces higher length-controlled win rates on RLHF (AlpacaEval, Arena-Hard). All proofs and detailed background are deferred to the appendix.
Authors: Yifan Zhang, Zhen Qin, Mengdi Wang, Quanquan Gu
Abstract: The quadratic cost of scaled dot-product attention is a central obstacle to scaling autoregressive language models to long contexts. Linear-time attention and State Space Models (SSMs) provide scalable alternatives but are typically restricted to first-order or kernel-based approximations, which can limit expressivity. We introduce Higher-order Linear Attention (HLA), a causal, streaming mechanism that realizes higher interactions via compact prefix sufficient statistics. In the second-order case, HLA maintains a constant-size state and computes per-token outputs in linear time without materializing any $n \times n$ matrices. We give closed-form streaming identities, a strictly causal masked variant using two additional summaries, and a chunk-parallel training scheme based on associative scans that reproduces the activations of a serial recurrence exactly. We further outline extensions to third and higher orders. Collectively, these results position HLA as a principled, scalable building block that combines attention-like, data-dependent mixing with the efficiency of modern recurrent architectures.
Authors: Ildus Sadrtdinov, Ekaterina Lobacheva, Ivan Klimov, Mikhail Burtsev, Mikhail I. Katsnelson, Dmitry Vetrov
Abstract: Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the stationary distributions of stochastic gradient descent (SGD) with weight decay for scale-invariant neural networks, a setting that both reflects practical architectures with normalization layers and permits theoretical analysis. We establish analogies between training hyperparameters (e.g., learning rate, weight decay) and thermodynamic variables such as temperature, pressure, and volume. Starting with a simplified isotropic noise model, we uncover a close correspondence between SGD dynamics and ideal gas behavior, validated through theory and simulation. Extending to training of neural networks, we show that key predictions of the framework, including the behavior of stationary entropy, align closely with experimental observations. This framework provides a principled foundation for interpreting training dynamics and may guide future work on hyperparameter tuning and the design of learning rate schedulers.
Authors: Runyu Lu, Ruochuan Shi, Yuanheng Zhu, Dongbin Zhao
Abstract: Computing worst-case robust strategies in pursuit-evasion games (PEGs) is time-consuming, especially when real-world factors like partial observability are considered. While important for general security purposes, real-time applicable pursuit strategies for graph-based PEGs are currently missing when the pursuers only have imperfect information about the evader's position. Although state-of-the-art reinforcement learning (RL) methods like Equilibrium Policy Generalization (EPG) and Grasper provide guidelines for learning graph neural network (GNN) policies robust to different game dynamics, they are restricted to the scenario of perfect information and do not take into account the possible case where the evader can predict the pursuers' actions. This paper introduces the first approach to worst-case robust real-time pursuit strategies (R2PS) under partial observability. We first prove that a traditional dynamic programming (DP) algorithm for solving Markov PEGs maintains optimality under the asynchronous moves by the evader. Then, we propose a belief preservation mechanism about the evader's possible positions, extending the DP pursuit strategies to a partially observable setting. Finally, we embed the belief preservation into the state-of-the-art EPG framework to finish our R2PS learning scheme, which leads to a real-time pursuer policy through cross-graph reinforcement learning against the asynchronous-move DP evasion strategies. After reinforcement learning, our policy achieves robust zero-shot generalization to unseen real-world graph structures and consistently outperforms the policy directly trained on the test graphs by the existing game RL approach.
Authors: Kairong Luo, Zhenbo Sun, Haodong Wen, Xinyu Shi, Jiarui Cui, Chenyi Dang, Kaifeng Lyu, Wenguang Chen
Abstract: Due to the scarcity of high-quality data, large language models (LLMs) are often trained on mixtures of data with varying quality levels, even after sophisticated data curation. A natural approach to better leverage high-quality data is curriculum-based pretraining, where the model is trained on data sorted in ascending order of quality as determined by a quality metric. However, prior studies have reported limited improvements from such curriculum-based pretraining strategies. This work identifies a critical factor constraining these methods: the incompatibility between the ascending data quality order and the decaying learning rate (LR) schedule. We find that while curriculum-based training substantially outperforms random shuffling when using a constant LR, its advantage diminishes under standard LR decay schedules. Our experiments show this incompatibility can be mitigated by two simple strategies: (1) employing a more moderate LR decay schedule, where the final LR is only moderately smaller than the peak LR, and (2) replacing LR decay with model averaging, i.e., computing a weighted average of the final few checkpoints. By combining these strategies, we improve the average score on a suite of standard benchmarks by 1.64% over random shuffling, without additional data refinement. Validated on 1.5B-parameter models trained over 30B tokens with various data-quality metrics, our findings call for a re-evaluation of curriculum-based LLM pretraining and underscore the potential of co-designing data curricula with optimization methods.
Authors: Robert Joseph George, Carson Eisenach, Udaya Ghai, Dominique Perrault-Joncas, Anima Anandkumar, Dean Foster
Abstract: Large language models can generate plausible code, but remain brittle for formal verification in proof assistants such as Lean. A central scalability challenge is that verified synthesis requires consistent artifacts across several coupled domains: executable code, formal specifications, theorem statements, and proof attempts. Existing approaches often treat these artifacts separately. We present BRIDGE, a structured prompting framework for multi-artifact program synthesis. BRIDGE decomposes generation into three interconnected domains: Code, Specification, and Theorem/Proof, and uses domain-specific intermediate reasoning to connect them. In Lean, BRIDGE often follows a code-first workflow, using the generated implementation as a semantic anchor for downstream specification, theorem statement, and proof-attempt generation. Across 178 algorithmic problems and five LLMs, BRIDGE improves Lean executable correctness by up to nearly 1.5x over direct prompting and can be roughly 2x more sample efficient at comparable generation lengths. We further find that specification-oriented prompting improves Python pass rates by up to 17.5 percentage points. Beyond inference-time prompting, supervised fine-tuning on BRIDGE-style reasoning traces yields nearly 1.5x higher Lean pass success than code-only fine-tuning, suggesting that these intermediate representations provide a learnable inductive bias. BRIDGE provides a practical framework for scaling verified synthesis while highlighting the remaining gap between executable correctness and full formal proof generation.
Authors: John C. Hill, Tyler LaBonte, Xinchen Zhang, Vidya Muthukumar
Abstract: Last-layer retraining (LLR) methods -- wherein the last layer of a neural network is reinitialized and retrained on a held-out set following ERM training -- have garnered interest as an efficient approach to rectify dependence on spurious correlations and improve performance on minority groups. Surprisingly, LLR has been found to improve worst-group accuracy even when the held-out set is an imbalanced subset of the training set. We initially hypothesize that this ``unreasonable effectiveness'' of LLR is explained by its ability to mitigate neural collapse through the held-out set, resulting in the implicit bias of gradient descent benefiting robustness. Our empirical investigation does not support this hypothesis. Instead, we present strong evidence for an alternative hypothesis: that the success of LLR is primarily due to better group balance in the held-out set. We conclude by showing how the recent algorithms CB-LLR and AFR perform implicit group-balancing to elicit a robustness improvement.
Authors: Ziniu Zhang, Minxuan Duan, Haris N. Koutsopoulos, Hongyang R. Zhang
Abstract: We consider analyzing traffic accident patterns using both road network data and satellite images aligned to road graph nodes. Previous work for predicting accident occurrences relies primarily on road network structural features while overlooking physical and environmental information from the road surface and its surroundings. In this work, we construct a large multimodal dataset spanning six U.S. states, containing nine million traffic accident records from official sources, and one million high-resolution satellite images for each node of the road network. Additionally, every node is annotated with features such as the region's weather statistics and road type (e.g., residential vs. motorway), and each edge is annotated with traffic volume information (i.e., Average Annual Daily Traffic). Utilizing this dataset, we conduct a comprehensive evaluation of multimodal learning methods that integrate both visual and network embeddings. Our findings show that integrating both data modalities improves prediction accuracy, achieving an average AUROC of $90.1\%$, a $3.7\%$ gain over graph neural network models that use only graph structures. With the improved embeddings, we conduct a causal analysis using a matching estimator to identify the key factors influencing traffic accidents. We find that accident rates rise by $24\%$ under higher precipitation, by $22\%$ on higher-speed roads such as motorways, and by $29\%$ due to seasonal patterns, after adjusting for other confounding factors. Ablation studies confirm that satellite imagery features are essential for achieving accurate prediction.
Authors: Nathan P. Lawrence, Ali Mesbah
Abstract: Goal-conditioned reinforcement learning (RL) concerns the problem of training an agent to maximize the probability of reaching target goal states. This paper presents an analysis of the goal-conditioned setting based on optimal control. In particular, we derive an optimality gap between more classical, often quadratic, objectives and the goal-conditioned reward, elucidating the success of goal-conditioned RL and why classical ``dense'' rewards can falter. We then consider the partially observed Markov decision setting and connect state estimation to our probabilistic reward, making the goal-conditioned reward well suited to dual control problems. The advantages of goal-conditioned policies are validated on nonlinear and uncertain environments using both RL and predictive control techniques.
Authors: Behrooz Tahmasebi, Melanie Weber
Abstract: Enforcing exact symmetry in machine learning models often yields significant gains in scientific applications, serving as a powerful inductive bias. However, recent work suggests that relying on approximate symmetry can offer greater flexibility and robustness. Despite promising empirical evidence, there has been little theoretical understanding, and in particular, a direct comparison between exact and approximate symmetry is missing from the literature. In this paper, we initiate this study by asking: What is the cost of enforcing exact versus approximate symmetry? To address this question, we introduce averaging complexity, a framework for quantifying the cost of enforcing symmetry via averaging. Our main result is an exponential separation: under standard conditions, exact symmetry requires linear averaging complexity, whereas approximate symmetry can be attained with only logarithmic complexity in the group size. To the best of our knowledge, this provides the first theoretical separation of these two cases, formally justifying why approximate symmetry may be preferable in practice. Beyond this, our tools and techniques may be of independent interest for the broader study of symmetries in machine learning.
Authors: Dung Anh Hoang, Cuong Pham, Cuong Nguyen, Trung le, Jianfei Cai, Thanh-Toan Do
Abstract: Large Language Models (LLMs) deliver strong performance across a wide range of NLP tasks, but their massive sizes hinder deployment on resource-constrained devices. To reduce their computational and memory burden, various compression techniques have been proposed, including quantization, pruning, and knowledge distillation. Among these, post-training quantization (PTQ) is widely adopted for its efficiency, as it requires no retraining and only a small dataset for calibration, enabling low-cost deployment. Recent advances for post-training quantization have demonstrated that even near 4-bit methods can maintain most of the original model performance. However, 1-bit quantization remains particularly challenging. A common strategy in 1-bit quantization is to determine binary weights by matching full-precision parameters, following a weight-driven criterion. However, this objective is not directly aligned with the quantized model's objective, which is to preserve the model's output behavior under the impact of quantization. A natural alternative is to adopt output-driven criteria that minimize discrepancies in model outputs using calibration data. Surprisingly, naive output-driven approaches often perform even worse in the 1-bit regime. In this paper, we show that this failure arises from two fundamental issues: error accumulation across layers and, more critically, \emph{anisotropic distortion} of the representation space. Based on these insights, we propose a novel PTQ method for 1-bit LLMs that explicitly addresses these issues while maintaining computational efficiency. Extensive experiments demonstrate that our approach consistently outperforms existing 1-bit PTQ methods.
Authors: Xudong Ling, Chaorong Li, Tianxi Huang, Qian Dong, Guiduo Duan
Abstract: Short-term precipitation nowcasting is an inherently uncertain and under-constrained spatiotemporal forecasting problem, especially for rapidly evolving and extreme weather events. Existing generative approaches rely primarily on visual conditioning, leaving future motion weakly constrained and ambiguous. We propose a language-aware multimodal nowcasting framework(LangPrecip) that treats meteorological text as a semantic motion constraint on precipitation evolution. By formulating nowcasting as a semantically constrained trajectory generation problem under the Rectified Flow paradigm, our method enables efficient and physically consistent integration of textual and radar information in latent space.We further introduce LangPrecip-160k, a large-scale multimodal dataset with 160k paired radar sequences and motion descriptions. Experiments on Swedish and MRMS datasets show consistent improvements over state-of-the-art methods, achieving over 60 \% and 19\% gains in heavy-rainfall CSI at an 80-minute lead time.
Authors: Zitian Li, Wang Chi Cheung
Abstract: The 1-identification problem is a fundamental pure-exploration problem in multi-armed bandits. An agent aims to determine whether there exists an arm whose mean reward exceeds a known threshold $\mu_0$, or to output \textsf{None} otherwise. The agent must guarantee correctness with probability at least $1-\delta$, while minimizing the expected number of arm pulls $\mathbb{E}[\tau]$. We study the 1-identification problem and make two main contributions. First, for instances with at least one qualified arm, we derive a new lower bound on $\mathbb{E}[\tau]$ via a novel optimization formulation. Second, we propose a new algorithm and establish upper bounds that match the lower bounds up to polynomial logarithmic factors uniformly over all instances. Our result complements the analysis of $\mathbb{E}\tau$ when there are multiple qualified arms, which is an open problem in the literature.
Authors: Zeyang Huang, Takanori Fujiwara, Angelos Chatzimparmpas, Wandrille Duchemin, Andreas Kerren
Abstract: We present a new nonlinear dimensionality reduction method, MAPLE, that enhances UMAP by improving manifold modeling. MAPLE employs a self-supervised learning approach to more efficiently encode low-dimensional manifold geometry. Central to this approach are maximum manifold capacity representations (MMCRs), which help untangle complex manifolds by compressing variances among locally similar data points while amplifying variance among dissimilar data points. This design is particularly effective for high-dimensional data with substantial intra-cluster variance and curved manifold structures, such as biological or image data. Our qualitative and quantitative evaluations demonstrate that MAPLE can produce clearer visual cluster separations and finer subcluster resolution than UMAP while maintaining tractable computational cost.
Authors: Carlos A. Pereira, St\'ephane Gaudreault, Valentin Dallerit, Christopher Subich, Shoyon Panday, Siqi Wei, Sasa Zhang, Siddharth Rout, Eldad Haber, Raymond J. Spiteri, David Millard, Emilia Diaconescu
Abstract: Recent machine-learning approaches to weather forecasting often employ a monolithic architecture in which distinct physical mechanisms-advection (long-range transport), diffusion-like mixing, thermodynamic processes, and forcing-are represented implicitly within a single large network. This is particularly problematic for advection, where long-range transport typically requires expensive global interaction mechanisms or deep stacks of local convolutional layers. To mitigate this, we present PARADIS, a physics-inspired global weather prediction model that enforces inductive biases on network behavior through a functional decomposition into advection, diffusion, and reaction blocks acting on latent variables. We implement advection through a Neural Semi-Lagrangian operator that performs trajectory-based transport via differentiable interpolation on the sphere, enabling end-to-end learning of both the latent modes to be transported and their characteristic trajectories. Diffusion-like processes are modeled by depthwise-separable spatial mixing, whereas local source terms and vertical interactions are handled via pointwise channel interactions, yielding a physically structured operator decomposition. Evaluated on ERA5 benchmarks, PARADIS achieves competitive deterministic forecast skill, with particularly strong short-lead performance, while preserving substantially better spectral fidelity and forecast activity during medium-range rollouts.
Authors: Yuanning Cui, Zequn Sun, Wei Hu, Kexuan Xin, Zhangjie Fu
Abstract: Entity alignment (EA) is critical for knowledge graph (KG) fusion. Existing EA models lack transferability and are incapable of aligning unseen KGs without retraining. While using graph foundation models (GFMs) offer a solution, we find that directly adapting GFMs to EA remains largely ineffective. This stems from a critical "reasoning horizon gap": unlike link prediction in GFMs, EA necessitates capturing long-range dependencies across sparse and heterogeneous KG structuresTo address this challenge, we propose a EA foundation model driven by a parallel encoding strategy. We utilize seed EA pairs as local anchors to guide the information flow, initializing and encoding two parallel streams simultaneously. This facilitates anchor-conditioned message passing and significantly shortens the inference trajectory by leveraging local structural proximity instead of global search. Additionally, we incorporate a merged relation graph to model global dependencies and a learnable interaction module for precise matching. Extensive experiments verify the effectiveness of our framework, highlighting its strong generalizability to unseen KGs.
Authors: Minghao Yang, Ren Togo, Guang Li, Takahiro Ogawa, Miki Haseyama
Abstract: Mixture-of-Experts (MoE) models scale neural networks by conditionally activating a small subset of experts, where the router plays a central role in determining expert specialization and overall model performance. However, many modern MoE systems still adopt linear routers in raw high-dimensional representation spaces, where representation mismatch, angular concentration, and scale-sensitive scoring can jointly undermine routing discriminability and stable expert specialization. In this work, we propose Low-rank & Lipschitz-controlled Routing (L2R), a unified routing framework that reshapes both the routing space and scoring geometry. L2R performs expert assignment in a shared low-rank latent routing space and introduces Saturated Inner-Product Scoring (SIPS) to explicitly control the Lipschitz behavior of routing functions, yielding smoother and more stable routing geometry. In addition, L2R incorporates a parameter-efficient multi-anchor routing mechanism to enhance expert expressiveness. Extensive experiments on an OLMoE-based language MoE model and a vision MoE setting on ImageNet demonstrate that L2R consistently improves routing geometry, expert discrimination, and overall model performance. Code will be released.
Authors: Tianqi Zhao, Guanyang Wang, Yan Shuo Tan, Qiong Zhang
Abstract: Clustering tabular data is a fundamental yet challenging problem due to heterogeneous feature types, diverse data-generating mechanisms, and the absence of transferable inductive biases across datasets. Prior-fitted networks (PFNs) have recently demonstrated strong generalization in supervised tabular learning by amortizing Bayesian inference under a broad synthetic prior. Extending this paradigm to clustering is nontrivial: clustering is unsupervised, admits a combinatorial and permutation-invariant output space, and requires inferring the number of clusters. We introduce TabClustPFN, a prior-fitted network for tabular data clustering that performs amortized Bayesian inference over both cluster assignments and cluster cardinality. Pretrained on synthetic datasets drawn from a flexible clustering prior, TabClustPFN clusters unseen datasets in a single forward pass, without dataset-specific retraining or hyperparameter tuning. The model naturally handles heterogeneous numerical and categorical features and adapts to a wide range of clustering structures. Experiments on synthetic data and curated real-world tabular benchmarks show that TabClustPFN outperforms classical, deep, and amortized clustering baselines, while exhibiting strong robustness in out-of-the-box exploratory settings. Code is available at https://github.com/Tianqi-Zhao/TabClustPFN.
Authors: Shuangqi Li, Hieu Le, Jingyi Xu, Mathieu Salzmann
Abstract: Training data attribution (TDA) identifies which training examples most influenced a model's prediction. Influence function methods are a theoretically grounded family of TDA methods and exploit gradients. To overcome the scalability challenge arising from gradient computation, the most popular strategy is random projection (e.g., TRAK, LoGRA). However, this still faces two bottlenecks when scaling to large training sets and high-quality attribution: \emph{(i)} storing and loading projected per-example gradients for all $N$ training examples, where query latency is dominated by I/O; and \emph{(ii)} forming the $D \times D$ inverse Hessian approximation, which costs $O(D^2)$ memory. Both bottlenecks scale with the projection dimension $D$, yet increasing $D$ is necessary for attribution quality -- creating a quality--scalability tradeoff. We introduce \textbf{LoRIF} (\textbf{Lo}w-\textbf{R}ank \textbf{I}nfluence \textbf{F}unctions), which exploits low-rank structures of gradient to address both bottlenecks. First, we store rank-$c$ factors of projected per-example gradients rather than full matrices, reducing storage and query-time I/O from $O(D)$ to $O(c\sqrt{D})$ per layer per sample. Second, we use truncated SVD with the Woodbury identity to approximate the inverse Hessian term in an $r$-dimensional subspace, reducing memory from $O(D^2)$ to $O(Dr)$. On models from 0.1B to 70B parameters trained on datasets with millions of examples, LoRIF achieves up to 20$\times$ storage reduction and query-time speedup compared to LoGRA, while matching or exceeding its attribution quality. LoRIF makes gradient-based TDA practical at frontier scale.
Authors: Jathurshan Pradeepkumar, Zheng Chen, Jimeng Sun
Abstract: Generating clinical reports that summarize abnormal patterns, diagnostic findings, and clinical interpretations from long-term EEG recordings remains labor-intensive. We present CELM, the first clinical EEG-to-Language foundation model capable of summarizing long-duration, variable-length EEG recordings and performing end-to-end clinical report generation at multiple scales. CELM integrates pretrained EEG foundation models with language models to enable scalable multimodal learning. We curate a large-scale clinical EEG dataset containing 9,922 reports paired with approximately 11,000 hours of EEG recordings from 9,048 patients to train CELM, and release the benchmark with an automated report-structuring pipeline to facilitate future research. Experimental results show that CELM consistently outperforms existing methods across all evaluation settings. Importantly, we further conduct human evaluation with clinical experts, demonstrating that CELM generates reports that are more clinically coherent, diagnostically reliable, and better aligned with expert interpretation. We release our model and benchmark construction pipeline at https://github.com/Jathurshan0330/CELM.
Authors: Santanu Subhash Rathod, Pietro Li\`o, Xiao Zhang
Abstract: Flow matching is a scalable generative framework for characterizing continuous normalizing flows with wide-range applications. However, current state-of-the-art methods are not well-suited for modeling dynamical systems, as they construct conditional paths using linear interpolants that may not capture the underlying state evolution, especially when learning higher-order dynamics from irregular sampled observations. Constructing unified paths that satisfy multi-marginal constraints across observations is challenging, since na\"ive higher-order polynomials tend to be unstable and oscillatory. We introduce SplineFlow, a theoretically grounded flow matching algorithm that jointly models conditional paths across observations via B-spline interpolation. Specifically, SplineFlow exploits the smoothness and stability of B-spline bases to learn the complex underlying dynamics in a structured manner while ensuring the multi-marginal requirements are met. Comprehensive experiments across various deterministic and stochastic dynamical systems of varying complexity, as well as on cellular trajectory inference tasks, demonstrate the strong improvement of SplineFlow over existing baselines. Our code is available at: https://github.com/santanurathod/SplineFlow.
Authors: Minghui Sun, Haoyu Gong, Xingyu You, Jillian Hurst, Benjamin Goldstein, Matthew Engelhard
Abstract: Event stream data often exhibit hierarchical structure in which multiple events co-occur, resulting in a sequence of multisets (i.e., bags of events). In electronic health records (EHRs), for example, medical events are grouped into a sequence of clinical encounters with well-defined temporal structure, but the order and timing of events within each encounter may be unknown or unreliable. Most existing foundation models (FMs) for event stream data flatten this hierarchy into a one-dimensional sequence, leading to (i) computational inefficiency associated with dense attention and learning spurious within-set relationships, and (ii) lower-quality set-level representations from heuristic post-training pooling for downstream tasks. Here, we show that preserving the original hierarchy in the FM architecture provides a useful inductive bias that improves both computational efficiency and representation quality. We then introduce Nested Event Stream Transformer (NEST), a FM for event streams comprised of sequences of multisets. Building on this architecture, we formulate Masked Set Modeling (MSM), an efficient paradigm that promotes improved set-level representation learning. Experiments on real-world multiset sequence data show that NEST captures real-world dynamics while improving both pretraining efficiency and downstream performance.
Authors: Jinju Park, Seokho Kang
Abstract: Although recent studies on time-series anomaly detection have increasingly adopted ever-larger neural network architectures such as transformers and foundation models, they incur high computational costs and memory usage, making them impractical for real-time and resource-constrained scenarios. Moreover, they often fail to demonstrate significant performance gains over simpler methods under rigorous evaluation protocols. In this study, we propose Patch-based representation learning for time-series Anomaly detection (PaAno), a lightweight yet effective method for fast and efficient time-series anomaly detection. PaAno extracts short temporal patches from time-series training data and uses a 1D convolutional neural network to embed each patch into a vector representation. The model is trained using a combination of triplet loss and pretext loss to ensure the embeddings capture informative temporal patterns from input patches. During inference, the anomaly score at each time step is computed by comparing the embeddings of its surrounding patches to those of normal patches extracted from the training time-series. Evaluated on the TSB-AD benchmark, PaAno achieved state-of-the-art performance, significantly outperforming existing methods, including those based on heavy architectures, on both univariate and multivariate time-series anomaly detection across various range-wise and point-wise performance measures.
Authors: Dionisia Naddeo, Jonas Linkerh\"agner, Nicola Toschi, Geri Skenderi, Veronica Lachi
Abstract: Many complex networks exhibit hierarchical, tree-like structures, making hyperbolic space a natural candidate wherein to learn representations of them. Based on this observation, Hyperbolic Graph Neural Networks (HGNNs) have been widely adopted as a principled choice for representation learning on tree-like graphs. In this work, we question this paradigm by proposing the additional condition of geometry--task alignment, i.e., whether the metric structure of the target follows that of the input graph. We theoretically and empirically demonstrate the capability of HGNNs to recover low-distortion representations on regression problems, and show that their geometric inductive bias becomes helpful when the problem requires preserving metric structure. By jointly analyzing predictive performance and embedding distortion, we further show that HGNNs gain an advantage on link prediction, a naturally geometry-aligned task, whereas this advantage largely disappears on standard node classification benchmarks, which are typically not geometry--aligned. Overall, our findings shift the focus from only asking "Is the graph hyperbolic?" to also questioning "Is the task aligned with hyperbolic geometry?", showing that HGNNs consistently outperform Euclidean models under such alignment, while their advantage vanishes otherwise.
Authors: Qihao Wen, Jiahao Wang, Yang Nan, Pengfei He, Ravi Tandon, Han Xu
Abstract: Large language Models (LLMs) have achieved significant breakthroughs across diverse domains; however, they can still produce unreliable or misleading outputs. For responsible LLM application, Uncertainty Quantification (UQ) techniques are used to estimate a model's uncertainty about its outputs, indicating the likelihood that those outputs may be problematic. For LLM reasoning tasks, it is essential to estimate the uncertainty not only for the final answer, but also for the intermediate steps of the reasoning, as this can enable more fine-grained and targeted interventions. In this study, we explore what UQ metrics better reflect the LLM's "intermediate uncertainty" during reasoning. Our study reveals that an LLM's incorrect reasoning steps tend to contain tokens which are highly sensitive to the perturbations on the preceding token embeddings, indicating the model's uncertainty among multiple competing continuations. In this way, uncertain (possibly incorrect) intermediate steps can be readily identified using this sensitivity score as guidance in practice. In our experiments, we show such perturbation-based metrics achieve stronger uncertainty quantification performance compared with baselines including probability-based, sampling-based and Bayesian-based methods. Meanwhile, such metrics also enjoy good simplicity and efficiency.
Authors: Wenze Lin, Zhen Yang, Xitai Jiang, Xiaoteng Ma, Gao Huang
Abstract: Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a promising paradigm for enhancing reasoning in Large Language Models (LLMs). However, existing reward formulations typically treat exploration and consolidation as a monolithic process, resulting in entangled stage-wise learning dynamics. This contradicts the natural learning behavior of human learners. In human learning, individuals adopt distinct behavioral patterns toward mastered versus unfamiliar problems. When confronting unmastered challenges, humans prioritize broad exploration to seek viable solutions. By contrast, for well-mastered problems, they focus instead on reasoning condensation and knowledge abstraction to distill concise underlying principles. Motivated by this gap, we introduce T2T(Thickening-to-Thinning), a dynamic reward framework inspired by human learning processes. Specifically, it implements a dual-phase mechanism: (1) On incorrect attempts, T2T incentivizes "thickening" to broaden the search space and explore novel solution paths; (2) Upon achieving correctness, it shifts to "thinning", imposing length penalties to discourage redundancy, thereby fostering model confidence and crystallizing reasoning capabilities. Extensive experiments on mathematical benchmarks (MATH-500, AIME, AMC) across 5 mainstream LLMs demonstrate that T2T significantly outperforms standard GRPO and recent baselines, achieving superior performance.
Authors: Minhuan Li, Jiequn Han, Pilar Cossio, Luhuan Wu
Abstract: A core challenge in structural biophysics is generating biomolecular conformations that are both physically plausible and consistent with experimental measurements. While sequence-to-structure diffusion models provide powerful priors, posterior sampling methods steer generation by perturbing atomic coordinates with gradients from experimental likelihoods. However, when the target lies in a low-density region of the prior, these methods require aggressive upweighting of the likelihood that can destabilize sampling and be sensitive to hyperparameters. We propose EmbedOpt, an inference-time steering framework that introduces an orthogonal optimization axis: rather than performing posterior sampling under a fixed prior, EmbedOpt directly optimizes the prior by updating the model's conditional embedding. This embedding space encodes rich coevolutionary signals, so optimizing it shifts the structural prior to align with experimental constraints. Empirically, EmbedOpt matches coordinate-based posterior sampling baselines on sparse distance constraints and outperforms them on cryo-electron microscopy map fitting, including real, noisy experimental ones. Furthermore, EmbedOpt's smooth optimization behavior yields robustness to hyperparameters spanning two orders of magnitude and enables comparable performance with fewer diffusion steps. Code is available at https://github.com/rs-station/embedopt.
Authors: Yinan Huang, Hans Hao-Hsun Hsu, Junran Wang, Bo Dai, Pan Li
Abstract: Sequential probabilistic inference from streaming observations requires modeling distributions over future trajectories as new observations arrive. Although diffusion and flow-matching models are effective at capturing high-dimensional, multimodal distributions, their deployment in real-time streaming settings typically relies on repeatedly sampling from a non-informative initial distribution. This results in substantial inference latency, particularly when multiple samples are needed to characterize the predictive distribution. In this work, we introduce Sequential Bayesian Flow Matching, a framework inspired by Bayesian filtering. By learning a probability flow that transports the posterior distribution from one time step to the next time step conditioned on new observations, it mirrors the recursive structure of Bayesian belief updates. Crucially, by using the previous belief as an informative source distribution, it enables substantially faster sampling than naive resampling from scratch. Across scientific forecasting tasks spanning accelerator beam spill dynamics, fluid dynamics, and weather forecasting, as well as decision-making benchmarks, our method achieves performance competitive with full-step diffusion on distributional metrics while using far fewer sampling steps, substantially reducing inference latency. Our code is available at https://github.com/Graph-COM/Sequential_Flow_Matching.
URLs: https://github.com/Graph-COM/Sequential_Flow_Matching.
Authors: Jinzong Dong, Wei Huang, Jianshu Zhang, Zhuo Chen, Xinzhe Yuan, Qinying Gu, Zhaohui Jiang, Nanyang Ye
Abstract: Offline reinforcement learning (RL), which optimizes policies using a previously collected static dataset, is an important branch of RL. A popular and promising approach is to regularize actor-critic methods with behavior cloning (BC), which quickly yields realistic policies and mitigates bias from out-of-distribution actions, but it can impose an often-overlooked performance ceiling: when dataset actions are suboptimal, indiscriminate imitation structurally prevents the actor from fully exploiting better actions suggested by the value function, especially in later training when imitation is already dominant. We formally analyzed this limitation by investigating convergence properties of BC-regularized actor-critic optimization and verified it on a controlled continuous bandit task. To break this ceiling, we propose proximal action replacement (PAR), an easy-to-use plug-and-play training sample replacer. PAR substitutes suboptimal dataset actions with better actions generated by a stable target policy, guided by the action-value function's local ascent direction and bounded by value uncertainty to ensure training stability. PAR is compatible with multiple BC regularization paradigms. Extensive experiments across offline RL benchmarks show that PAR consistently improves performance, and approaches state-of-the-art results simply by being combined with the basic TD3+BC.
Authors: Martin Fixman, Alessandro Abati, Juli\'an Jim\'enez Nimmo, Sean Lim, Esther Mondrag\'on
Abstract: In contrast to static formalisms, computational definitions describe the operational mechanisms of a model. Simulations are an essential part of the cycle of theory development and refinement, assisting researchers in formulating the precise definitions that models require, and making accurate predictions. This manuscript introduces a computational implementation of Pavlovian learning models in a Python environment, termed Pavlovian Associative Learning Models' Simulation (PALMS). In addition to the canonical Rescorla-Wagner model, attentional approaches are implemented, including Pearce-Kaye-Hall, Mackintosh Extended, Le Pelley's Hybrid, and a novel extension of the Rescorla-Wagner model featuring a unified variable learning rate that synthesises Mackintosh's and Pearce and Hall's opposing conceptualisations. To our knowledge, only the first attentional model has been previously specified computationally in a general design tool. PALMS integrates a graphical interface that permits the input of entire experimental designs in an alphanumeric format, akin to that used by experimental neuroscientists. It uniquely enables the simulation of experiments involving hundreds of stimuli, such as those used with human participants, and the computation of configural cues and configural-cue compounds across all models, thereby substantially broadening their predictive capabilities. A comprehensive description of the models' implementation is provided in the paper. We evaluate PALMS by simulating five published experiments in the associative learning literature that assessed the predictive scope of existing models, and we show that this implementation provides neuroscientists with a useful tool for identifying critical variables, refining experimental designs, making precise predictions, comparing model fitness, and formulating new theoretical approaches.
Authors: Varun Gupta, Vijay Kamble
Abstract: We study a canonical multi-task demand-learning problem motivated by retail pricing, where a firm seeks to estimate heterogeneous linear price-response functions across multiple decision contexts. Each context is described by rich covariates but exhibits limited price variation, motivating transfer learning across tasks. A central challenge in leveraging cross-task transfer is endogeneity: prices may be arbitrarily correlated with unobserved task-level demand determinants across tasks. We propose a new meta-learning framework that identifies the conditional mean of task-specific causal demand parameters given a subset of task-specific observables despite such confounding, assuming that each task contains at least two distinct locally exogenous price points. This subset is carefully designed to include all of the prices to address cross-task confounding, while masking two demand outcomes that provide randomized supervision to address identifiability issues arising from the inclusion of all prices. We show that this information design is maximally uniformly valid, in that any refinement of the conditioning set that reveals withheld-outcome information is not guaranteed to identify the conditional mean causal target. We validate our method on real and synthetic data, demonstrating improved recovery of demand responses relative to standard transfer-learning baselines.
Authors: Jingkun Liu, Yisong Yue, Max Welling, Yue Song
Abstract: Self-attention in Transformers relies on globally normalized softmax weights, causing all tokens to compete for influence at every layer. When composed across depth, this interaction pattern induces strong synchronization dynamics that favor convergence toward a dominant mode, a behavior associated with representation collapse and attention sink phenomena. We introduce Krause Attention, a principled attention mechanism inspired by bounded-confidence consensus dynamics. Krause Attention replaces similarity-based global aggregation with distance-based, localized, and selectively sparse interactions, promoting structured local synchronization instead of global mixing. We relate this behavior to recent theory modeling Transformer dynamics as interacting particle systems, and show how bounded-confidence interactions naturally moderate attention concentration and alleviate attention sinks. Restricting interactions to local neighborhoods also reduces runtime complexity from quadratic to linear in sequence length. Empirically, we validate Krause Attention across diverse settings, including vision (ViT on CIFAR/ImageNet), autoregressive image generation (MNIST/CIFAR-10), large language models (Llama/Qwen), and language models trained from scratch at multiple scales (100M/200M). Across these domains, Krause Attention achieves consistent performance gains while improving computational efficiency, highlighting bounded-confidence dynamics as a scalable and effective inductive bias for attention.
Authors: Wenqian Chen, Yucheng Fu, Michael Penwarden, Pratanu Roy, Panos Stinis
Abstract: Learning solution operators for systems with complex, varying geometries and parametric physical settings is a central challenge in scientific machine learning. In many-query regimes such as design optimization, control and inverse problems, surrogate modeling must generalize across geometries while allowing flexible evaluation at arbitrary spatial locations. In this work, we propose Arbitrary Geometry-encoded Transformer (ArGEnT), a geometry-aware attention-based architecture for operator learning on arbitrary domains. ArGEnT employs Transformer attention mechanisms to encode geometric information directly from point-cloud representations with three variants-self-attention, cross-attention, and hybrid-attention-that incorporates different strategies for incorporating geometric features. By integrating ArGEnT into DeepONet as the trunk network, we develop a surrogate modeling framework capable of learning operator mappings that depend on both geometric and non-geometric inputs without the need to explicitly parametrize geometry as a branch network input. Evaluation on benchmark problems spanning fluid dynamics, solid mechanics and electrochemical systems, we demonstrate significantly improved prediction accuracy and generalization performance compared with the standard DeepONet and other existing geometry-aware saurrogates. In particular, the cross-attention transformer variant enables accurate geometry-conditioned predictions with reduced reliance on signed distance functions. By combining flexible geometry encoding with operator-learning capabilities, ArGEnT provides a scalable surrogate modeling framework for optimization, uncertainty quantification, and data-driven modeling of complex physical systems.
Authors: Gabriel Franco, Lucas M. Tassis, Azalea Rohr, Mark Crovella
Abstract: Understanding the internal circuits that language models use to solve tasks remains a central challenge in mechanistic interpretability. A crucial part of finding circuits is understanding why each attention head attends where it does. To this end, we introduce ACC++, an improved circuit-tracing method based on the principle of attention-causal communication (ACC) [1], which identifies signals, i.e., contents of low dimensional subspaces that cause attention on a token pair. ACC++ extracts circuits from a single forward pass, without replacement models or patching. Circuits identified by ACC++ consist of components that are causal for the model's attention decisions, together with the low-dimensional signals used to communicate between them. Here, we first detail the conceptual advances that ACC++ makes over previous work. We then show that across multiple models, a substantial portion of ACC++ signals are interpretable: many signals admit a short natural-language description. We next present a number of new insights into model behavior obtained via ACC++. First, we use ACC++'s interpretable circuits to characterize the sensitivity of indirect object identification (IOI) circuits to prompt structure. We find that prompt-specific circuits form well-defined clusters, and across clusters, heads receive systematically different signals corresponding to distinct mechanisms for identifying the IO name. Next, in multilingual IOI, ACC++ circuits show that while model components are reused across languages, signals are often language-specific. In a four-language IOI case study, cross-language circuit distances are consistent with linguistic relatedness. Together, these results show that ACC++ can shed light on a broad spectrum of model behaviors.
Authors: Aggelos Semoglou, John Pavlopoulos
Abstract: Clustering is widely used for unsupervised structure discovery, yet it offers limited insight into how reliable each individual assignment is. Diagnostics, such as convergence behavior or objective values, may reflect global quality, but they do not indicate whether particular instances are assigned confidently, especially for initialization-sensitive algorithms like k-means. This assignment-level instability can undermine both accuracy and robustness. Ensemble approaches improve global consistency by aggregating multiple runs, but they typically lack tools for quantifying pointwise confidence in a way that combines cross-run agreement with geometric support from the learned cluster structure. This work introduces CAKE (Confidence in Assignments via K-partition Ensembles), a framework that evaluates each point using two complementary statistics computed over a clustering ensemble: assignment stability and consistency of local geometric fit. These are combined into a single, interpretable score in [0,1]. The theoretical analysis shows that CAKE remains effective under noise and separates stable from unstable points. Experiments on synthetic and real-world datasets indicate that CAKE effectively highlights ambiguous points and stable core members, providing a confidence ranking over instances that can be used for selection or prioritization in downstream clustering workflows.
Authors: Pascal Jr Tikeng Notsawo, Guillaume Dumas, Guillaume Rabusseau
Abstract: This paper investigates the grokking phenomenon, which refers to the sudden transition from a long memorization to generalization observed during neural networks training, in the context of learning multiplication in finite-dimensional algebras (FDA). While prior work on grokking has focused mainly on group operations, we extend the analysis to more general algebraic structures, including non-associative, non-commutative, and non-unital algebras. We show that learning group operations is a special case of learning FDA, and that learning multiplication in FDA amounts to learning a bilinear product specified by the algebra's structure tensor. For algebras over the reals, we connect the learning problem to matrix factorization with an implicit low-rank bias, and for algebras over finite fields, we show that grokking emerges naturally as models must learn discrete representations of algebraic elements. This leads us to experimentally investigate the following core questions: (i) how do algebraic properties such as commutativity, associativity, and unitality influence both the emergence and timing of grokking, (ii) how structural properties of the structure tensor of the FDA, such as sparsity and rank, influence generalization, and (iii) to what extent generalization correlates with the model learning latent embeddings aligned with the algebra's representation. Our work provides a unified framework for grokking across algebraic structures and new insights into how mathematical structure governs neural network generalization dynamics.
Authors: Ruijie Zhang, Yequan Zhao, Ziyue Liu, Zhengyang Wang, Yupeng Su, Liyan Tan, Zheng Zhang
Abstract: Muon has recently emerged as a strong optimizer for large language model pre-training, orthogonalizing the momentum matrix via Newton--Schulz polar iterations. A natural intuition is that polar iterations, by flattening the singular spectrum to all ones, should also eliminate column- and row-wise norm imbalance in the update. We show that this is not true in practice: practical polar steps can substantially amplify the imbalance. We term this the post-polar imbalanced update problem, and prove that such imbalance tightens the second-order term in a blockwise descent analysis, weakening Muon's per-step descent guarantee. Motivated by this analysis, we propose Muon+, a one-line fix that inserts a single normalization step after polar orthogonalization. Muon+ adds no optimizer state. Across pre-training experiments on GPT and LLaMA models from 60M to 7B parameters, spanning both compute-optimal budgets and extended token-to-parameter ratios up to approximately 200, Muon+ consistently outperforms Muon in terms of training and validation perplexity, leading to significant overall pre-training speedup.
Authors: Tiantong Wang, Xinyu Yan, Tiantong Wu, Yurong Hao, Pengjun Xie, Wei Yang Bryan Lim
Abstract: Machine unlearning for large language models often faces a privacy dilemma in which strict constraints prohibit sharing either the server's parameters or the client's forget set. To address this dual non-disclosure constraint, we propose MPU, an algorithm-agnostic privacy-preserving Multiple Perturbed Copies Unlearning framework that primarily introduces two server-side modules: Pre-Process for randomized copy generation and Post-Process for update aggregation. In Pre-Process, the server distributes multiple perturbed and reparameterized model instances, allowing the client to execute unlearning locally on its private forget set without accessing the server's exact original parameters. After local unlearning, the server performs Post-Process by inverting the reparameterization and aggregating updates with a harmonic denoising procedure to alleviate the impact of perturbation. Experiments with seven unlearning algorithms show that MPU achieves comparable unlearning performance to noise-free baselines, with most algorithms' average degradation well below 1% up to 10% noise, and can even outperform the noise-free baseline for some algorithms under 1% noise. Code is available at https://github.com/Tristan0318/MPU.
Authors: Abdulrahman Alswaidan, Jeffrey D. Varner
Abstract: Attention heads retrieve: given a query, they return a weighted average of stored values. We showed that this computation is one step of gradient descent on the modern Hopfield energy, and that Langevin sampling from the corresponding Boltzmann distribution yielded stochastic attention, a training-free sampler controlled by a single temperature parameter. Lowering the temperature gave exact retrieval; raising it gave open-ended generation. Because the energy gradient equals the attention map, no score network, training loop, or learned model was required, making the approach particularly suited to the low-data regime where learned generative models are starved of training signal. We derived an entropy inflection condition that identified the retrieval-to-generation transition temperature for any memory geometry and validated the sampler on five domains spanning two orders of magnitude in dimension. A single Boolean mask on the attention softmax, identical to the causal mask used in transformers but applied along the memory axis rather than the sequence axis, turned the sampler into a zero-shot class-conditional generator on Olivetti faces with no retraining and no learned classifier. On MNIST digit images, stochastic attention produced samples that were markedly more novel and more diverse than the best learned baseline while matching a Metropolis-corrected gold standard. On protein sequences from a small Pfam family, the generation regime preserved amino acid composition far more faithfully than a variational autoencoder at matched novelty, indicating that the training-free score function retained family-level fidelity that learned models lost. A denoising diffusion baseline failed across all memory sizes tested, producing samples indistinguishable from isotropic noise. The approach required no architectural changes to the underlying attention mechanism.
Authors: Th\'eo Vincent, Kevin Gerhardt, Yogesh Tripathi, Habib Maraqten, Adam White, Martha White, Jan Peters, Carlo D'Eramo
Abstract: Temporal-difference (TD) learning is highly effective at controlling and evaluating an agent's long-term outcomes. Most approaches in this paradigm implement a semi-gradient update to boost the learning speed, which consists of ignoring the gradient of the bootstrapped estimate. While popular, this type of update is prone to divergence, as Baird's counterexample illustrates. Gradient TD methods were introduced to overcome this issue, but have not been widely used, potentially due to issues with learning speed compared to semi-gradient methods. Recently, iterated TD learning was developed to increase the learning speed of TD methods. For that, it learns a sequence of action-value functions in parallel, where each function is optimized to represent the application of the Bellman operator over the previous function in the sequence. While promising, this algorithm can be unstable due to its semi-gradient nature, as each function tracks a moving target. In this work, we modify iterated TD learning by computing the gradients over those moving targets, aiming to build a powerful gradient TD method that competes with semi-gradient methods. Our evaluation reveals that this algorithm, called Gradient Iterated Temporal-Difference learning, has a competitive learning speed against semi-gradient methods across various benchmarks, including Atari games, a result that no prior work on gradient TD methods has demonstrated.
Authors: Tao Zhong, Yixun Hu, Dongzhe Zheng, Aditya Sood, Christine Allen-Blanchette
Abstract: Inverse problems for stiff parabolic partial differential equations (PDEs), such as the inverse heat conduction problem (IHCP), are severely ill-posed: the forward map rapidly damps high-frequency interior structure before it reaches the boundary. Soft-constrained physics-informed neural networks (PINNs), which embed the PDE as a residual penalty, suffer from gradient pathology in this regime and tend to fit boundary measurements while leaving the interior field essentially untouched. We propose Neural Field Thermal Tomography (NeFTY), a hard-constrained neural field framework for label-free three-dimensional inverse heat conduction. NeFTY represents the unknown diffusivity as a continuous coordinate-based neural network, and at every optimization step passes the candidate field through a differentiable implicit-Euler heat solver with harmonic-mean interface flux, so that the governing PDE holds exactly on the discretization rather than as a soft penalty. Adjoint gradients propagate the surface reconstruction error back to the network weights at solver-level memory cost, making test-time inversion tractable on a single GPU. Across synthetic 3D benchmarks, NeFTY substantially outperforms soft-constrained PINN variants and a voxel-grid baseline on label-free volumetric recovery, and it transfers to real thermography data, surpassing classical signal-processing baselines in both defect segmentation and depth estimation. Additional details at https://cab-lab-princeton.github.io/nefty/
Authors: Alliot Nagle, Jakhongir Saydaliev, Dhia Garbaya, Michael Gastpar, Ashok Vardhan Makkuva, Hyeji Kim
Abstract: Large Reasoning Models (LRMs) achieve impressive performance on complex reasoning tasks via Chain-of-Thought (CoT) reasoning, which enables them to generate intermediate thinking tokens before arriving at the final answer. However, LRMs often suffer from significant overthinking, spending excessive compute time even after the answer is generated early on. Prior work has identified the existence of an optimal reasoning length such that truncating reasoning at this point significantly shortens CoT outputs with virtually no change in performance. However, determining optimal CoT lengths for practical datasets is highly non-trivial as they are fully task and model-dependent. In this paper, we precisely address this and design Terminator, an early-exit strategy for LRMs at inference to mitigate overthinking. The central idea underpinning Terminator is that the first arrival of an LRM's final answer is often predictable, and we leverage these first answer positions to create a novel dataset of optimal reasoning lengths to train Terminator. Powered by this approach, Terminator achieves significant reductions in CoT lengths of 14%-55% on average across four challenging practical datasets: MATH-500, AIME 2025, HumanEval, and GPQA, while outperforming current state-of-the-art methods and reducing inference latency by more than 2x compared to the original LRM.
Authors: Vishnu Teja Kunde, Fatemeh Doudi, Mahdi Farahbakhsh, Dileep Kalathil, Krishna Narayanan, Jean-Francois Chamberland
Abstract: Reinforcement learning (RL) has been effective for post-training autoregressive (AR) language models, but extending these methods to diffusion language models (DLMs) is challenging due to intractable sequence-level likelihoods. Existing approaches therefore rely on surrogate likelihoods or heuristic approximations, which can introduce bias and obscure the sequential structure of denoising. We formulate diffusion-based sequence generation as a finite-horizon Markov decision process over the denoising trajectory and derive an exact, unbiased policy gradient that decomposes over denoising steps and is expressed in terms of intermediate advantages, without requiring explicit evaluation of the sequence likelihood. To obtain a practical and compute-efficient estimator, we (i) select denoising steps for policy updates via an entropy-guided approximation bound, and (ii) estimate intermediate advantages using a one-step denoising reward naturally provided by the diffusion model, avoiding costly multi-step rollouts. Experiments on coding and logical reasoning benchmarks demonstrate state-of-the-art results, with strong competitive performance on mathematical reasoning, outperforming existing RL post-training approaches for DLMs. Code is available at https://github.com/vishnutez/egspo-dllm-rl.
Authors: Mayank Mishra, Shawn Tan, Ion Stoica, Joseph Gonzalez, Tri Dao
Abstract: Transformers are highly parallel but are limited to computations in the TC$^0$ complexity class, excluding tasks such as entity tracking and code execution that provably require greater expressive power. Motivated by this limitation, we revisit non-linear Recurrent Neural Networks (RNNs) for language modeling and introduce Matrix-to-Matrix RNN (M$^2$RNN): an architecture with matrix-valued hidden states and expressive non-linear state transitions. We demonstrate that the language modeling performance of non-linear RNNs is limited by their state size, and show how the state size expansion mechanism enables efficient use of tensor cores. Empirically, M$^2$RNN achieves perfect state tracking generalization at sequence lengths not seen during training. These benefits also translate to large-scale language modeling. In hybrid settings that interleave recurrent layers with attention, Hybrid M$^2$RNN outperforms equivalent Gated DeltaNet hybrids by $0.4$-$0.5$ perplexity points on a 7B MoE model, while using $3\times$ smaller state sizes for the recurrent layers. Notably, replacing even a single recurrent layer with M$^2$RNN in an existing hybrid architecture yields accuracy gains comparable to Hybrid M$^2$RNN with minimal impact on training throughput. Further, the Hybrid Gated DeltaNet models with a single M$^2$RNN layer also achieve superior long-context generalization, outperforming state-of-the-art hybrid linear attention architectures by up to $8$ points on LongBench. Together, these results establish non-linear RNN layers as a compelling building block for efficient and scalable language models.
Authors: Yifan Zhang
Abstract: Recent work has made clear that the residual pathway is not mere optimization plumbing; it is part of the model's representational machinery. We agree, but argue that the cleanest way to organize this design space is through a two-axis view of the Transformer. A decoder evolves information along two ordered dimensions: sequence position and layer depth. Self-attention already provides adaptive mixing along the sequence axis, whereas the residual stream usually performs fixed addition along the depth axis. If we fix a token position and treat layer index as the ordered variable, then a causal depth-wise residual attention read is exactly the same local operator as causal short sliding-window attention (ShortSWA), except written over depth rather than over sequence. This is the core residual stream duality behind Transformer$^2$. This perspective also clarifies the recent literature. ELC-BERT and DenseFormer already show that learned aggregation over depth can outperform uniform residual accumulation, while Vertical Attention, DeepCrossAttention (DCA), MUDDFormer, and Attention Residuals move further toward explicit attention-based routing over earlier layers. The key point, however, is that operator-level duality does not imply systems-level symmetry. For large-scale autoregressive models, sequence-axis ShortSWA is usually the more hardware-friendly placement because it reuses token-side sliding-window kernels, KV-cache layouts, and chunked execution. If the goal is instead to change the shortcut itself, Deep Delta Learning (DDL) is the cleaner intervention because it modifies the residual operator directly rather than adding a separate cross-layer retrieval path. Our recommendation is therefore simple: use DDL when the shortcut is the object of interest, and use sequence-axis ShortSWA when the goal is local adaptive mixing.
Authors: Anish Saha, Konstantin Shmakov
Abstract: In-context learning (ICL) enables task adaptation at inference time by conditioning on demonstrations rather than updating model parameters. Although recent time-series foundation models incorporate contextual conditioning, retrieval, or example-based prompting, they typically rely on implicit positional structure or task-specific objectives rather than explicit instruction-conditioned input-output demonstrations. We introduce iAmTime, a time-series foundation model trained with instruction-conditioned amortized meta-learning to infer tasks directly from example demonstrations. iAmTime represents each episode as a structured prompt over historical context and future-known variables using specialized semantic tokens that attend to designated time-series regions, exchange information across demonstrations, and inject task information into the query representation. The model combines a Hierarchical Multi-Scope Transformer Encoder, which captures temporal and covariate dynamics while inferring latent task structure from demonstrated input-output mappings, with a Task-Conditioned Patch Decoder, which adapts decoding through expert-based routing. We train iAmTime on large-scale real and synthetic corpora using supervised and self-supervised instruction-conditioned tasks, including forecasting, imputation, reconstruction, classification, anomaly detection, and source de-mixing. Across diverse domains, frequencies, and horizons, iAmTime improves zero-shot adaptation over strong time-series foundation baselines on probabilistic and point forecasting benchmarks, while achieving competitive performance on non-forecasting tasks such as classification.
Authors: Aditya Kakade, Vivek Srivastava, Shirish Karande
Abstract: G\"odel agent realize recursive self-improvement: an agent inspects its own policy and traces and then modifies that policy in a tested loop. We introduce Polaris, a G\"odel agent for compact models that performs policy repair via experience abstraction, turning failures into policy updates through a structured cycle of analysis, strategy formation, abstraction, and minimal code pat ch repair with conservative checks. Unlike response level self correction or parameter tuning, Polaris makes policy level changes with small, auditable patches that persist in the policy and are reused on unseen instances within each benchmark. As part of the loop, the agent engages in meta reasoning: it explains its errors, proposes concrete revisions to its own policy, and then updates the policy. To enable cumulative policy refinement, we introduce experience abstraction, which distills failures into compact, reusable strategies that transfer to unseen instances. On MGSM, DROP, GPQA, and LitBench (covering arithmetic reasoning, compositional inference, graduate-level problem solving, and creative writing evaluation), a 7-billion-parameter model equipped with Polaris achieves consistent gains over the base policy and competitive baselines.
Authors: Kun Zhang, Jiaqi Sun, Yiqing Li, Ignavier Ng, Namrata Deka, Shaoan Xie
Abstract: This paper aims to address the challenge of data generation beyond the training data and proposes a framework for Structural Extrapolated Data GEneration (SEDGE) based on suitable assumptions on the underlying data-generating process. We provide conditions under which data satisfying novel specifications can be generated reliably, together with the approximate identifiability of the distribution of such data under certain ``conservative" assumptions, as well as the inherent non-identifiability of this distribution without such assumptions. On the algorithmic side, we develop practical methods to achieve extrapolated data generation, based on a structure-informed optimization strategy or diffusion posterior sampling, respectively. We verify the extrapolation performance on synthetic data and also consider extrapolated image generation as a real-world scenario to illustrate the validity of the proposed framework.
Authors: Junyu Guo, Shangding Gu, Ming Jin, Costas Spanos, Javad Lavaei
Abstract: Large language models (LLMs) often produce confident yet incorrect answers, which can lead to risky failures in real-world applications. We study whether post-training can make a model's self-assessment explicit: when the model is uncertain, can it be trained to signal so within its own response? A central design question is where in the response this signal should be exposed -- during reasoning, while the answer is still being formed, or at the end, once the answer has been produced. We study both. For end-of-reasoning self-assessment, we train the model to verbalize a confidence score for its response, with the aim of high confidence on correct answers and low confidence on incorrect ones. For during-reasoning self-assessment, we train the model to emit the marker
Authors: Xingsheng Chen, Xianpei Mu, Deyu Yi, Yilin Yuan, Xingwei He, Bo Gao, Regina Zhang, Pietro Lio, Siu-Ming Yiu
Abstract: Multivariate time series forecasting is fundamental to numerous domains such as energy, finance, and environmental monitoring, where complex temporal dependencies and cross-variable interactions pose enduring challenges. Existing Transformer-based methods capture temporal correlations through attention mechanisms but suffer from quadratic computational cost, while state-space models like Mamba achieve efficient long-context modeling yet lack explicit temporal pattern recognition. Therefore we introduce UniMamba, a unified spatial-temporal forecasting framework that integrates efficient state-space dynamics with attention-based dependency learning. UniMamba employs a Mamba Variate-Channel Encoding Layer enhanced with FFT-Laplace Transform and TCN to capture global temporal dependencies, and a Spatial Temporal Attention Layer to jointly model inter-variate correlations and temporal evolution. A Feedforward Temporal Dynamics Layer further fuses continuous and discrete contexts for accurate forecasting. Comprehensive experiments on eight public benchmark datasets demonstrate that UniMamba consistently outperforms state-of-the-art forecasting models in both forecasting accuracy and computational efficiency, establishing a scalable and robust solution for long-sequence multivariate time-series prediction.
Authors: Mattie Ji, Indradyumna Roy, Vikas Garg
Abstract: Persistent homology (PH) encodes global information, such as cycles, and is thus increasingly integrated into graph neural networks (GNNs). PH methods in GNNs typically traverse an increasing sequence of subgraphs. In this work, we first expose limitations of this inclusion procedure. To remedy these shortcomings, we analyze contractions as a principled topological operation, in particular, for graph representation learning. We study the persistence of contraction sequences, which we call Contraction Homology (CH). We establish that forward PH and CH differ in expressivity. We then introduce Hourglass Persistence, a class of topological descriptors that interleave a sequence of inclusions and contractions to boost expressivity, learnability, and stability. We also study related families parametrized by two paradigms. We also discuss how our framework extends to simplicial and cellular networks. We further design efficient algorithms that are pluggable into end-to-end differentiable GNN pipelines, enabling consistent empirical improvements over many PH methods across standard real-world graph datasets. Code is available at \href{https://github.com/Aalto-QuML/Hourglass}{this https URL}.
Authors: Hen Davidov, Nachshon Cohen, Oren Kalinsky, Yaron Fairstein, Guy Kushilevitz, Ram Yazdi, Patrick Rebeschini
Abstract: LLMs utilizing chain-of-thought reasoning often waste substantial compute by producing long, incorrect responses. Abstention can mitigate this by withholding outputs unlikely to be correct. While most abstention methods decide to withhold outputs before or after generation, dynamic mid-generation abstention considers early termination of unpromising reasoning traces at each token position. Prior work has explored empirical variants of this idea, but principled guidance for the abstention rule remains lacking. We present a formal analysis of dynamic abstention for LLMs, modeling abstention as an explicit action within a regularized reinforcement learning framework. An abstention reward parameter controls the trade-off between compute and information. We show that abstaining when the value function falls below this reward strictly outperforms natural baselines under general conditions. We further derive a principled and efficient method to approximate the value function. Empirical results on mathematical reasoning and toxicity avoidance tasks support our theory and demonstrate improved selective accuracy over existing methods.
Authors: Yixian Xu, Yusong Wang, Shengjie Luo, Kaiyuan Gao, Tianyu He, Di He, Chang Liu
Abstract: Diffusion-based generative models have reformed generative AI, and also enabled new capabilities in the science domain, e.g., fast generation of 3D structures of molecules. In such tasks, there is often a symmetry in the system, identifying elements that can be converted by certain transformations as equivalent. Equivariant diffusion models guarantee a symmetric distribution, but miss the opportunity to make learning easier, while alignment-based simplification attempts fail to preserve the target distribution. In this work, we develop quotient-space diffusion models, a principled generative framework to fully handle and leverage symmetry. By viewing the intrinsic generation process on the quotient space, the exact construction that removes symmetry redundancy, the framework simplifies learning by allowing model output to have an arbitrary intra-equivalence-class movement, while generating the correct symmetric target distribution with guarantee. We instantiate the framework for molecular structure generation which follows $\mathrm{SE}(3)$ (rigid-body movement) symmetry. It improves the performance over equivariant diffusion models and outperforms alignment-based methods universally for small molecules and proteins, representing a new framework that surpasses previous symmetry treatments in generative models.
Authors: Mohamed Ali Souibgui, Jan Fostier, Rodrigo Abad\'ia-Heredia, Bohdan Denysenko, Christian Marschke, Igor Peric
Abstract: Transformers are mostly relying on softmax attention, which introduces quadratic complexity with respect to sequence length and remains a major bottleneck for efficient inference. Prior work on linear or hybrid attention typically replaces softmax attention uniformly across all layers, often leading to significant performance degradation or requiring extensive retraining to recover model quality. This work proposes LayerBoost, a layer-aware attention reduction method that selectively modifies the attention mechanism based on the sensitivity of individual transformer layers. It first performs a systematic sensitivity analysis on a pretrained model to identify layers that are critical for maintaining performance. Guided by this analysis, three distinct strategies can be applied: retaining standard softmax attention in highly sensitive layers, replacing it with linear sliding window attention in moderately sensitive layers, and removing attention entirely in layers that exhibit low sensitivity. To recover performance after these architectural modifications, we introduce a lightweight distillation-based healing phase requiring only 10M additional training tokens. LayerBoost reduces inference latency and improves throughput by up to 68% at high concurrency, while maintaining competitive model quality. It matches base model performance on several benchmarks, exhibits only minor degradations on others, and significantly outperforms state-of-the-art attention linearization methods. These efficiency gains make our method particularly well-suited for high-concurrency serving and hardware-constrained deployment scenarios, where inference cost and memory footprint are critical bottlenecks.
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: Tehila Dahan, Roie Reshef, Sharon Goldstein, Kfir Y. Levy
Abstract: Asynchronous stochastic gradient descent (SGD) enables scalable distributed training but suffers from gradient staleness. Existing mitigation strategies, such as delay-adaptive learning rates and staleness-aware filtering, typically attenuate or discard delayed gradients, introducing systematic bias: updates from simpler or faster-to-process samples are overrepresented, while gradients from more complex samples are delayed or suppressed. In contrast, prior approaches to data-dependent delays rely on a Lipschitz assumption that yields suboptimal rates or leave the smooth, convex case unaddressed. We propose a momentum-based asynchronous framework designed to preserve information from delayed gradients while mitigating the effects of staleness. We establish the first optimal convergence rates for data-dependent delays in both convex and non-convex smooth setups, providing a new result for asynchronous optimization under standard assumptions. Additionally, we derive robust learning-rate schedules that simplify hyperparameter tuning in practice.
Authors: Dan Tsir Cohen, Steve Hanneke, Aryeh Kontorovich
Abstract: We study strong universal Bayes-consistency in the realizable setting for learning with general metric losses, extending classical characterizations beyond $0$-$1$ classification (Bousquet et al., 2020; Hanneke et al., 2021) and real-valued regression (Attias et al., 2024). Given an instance space $(X,\rho)$, a label space $(Y,\ell)$ with possibly unbounded loss, and a hypothesis class $H \subseteq Y^{X}$, we resolve the realizable case of an open problem presented in Tsir Cohen and Kontorovich (2022). Specifically, we find the necessary and sufficient conditions on the hypothesis class $H$ under which there exists a distribution-free learning rule whose risk converges almost surely to the best-in-class risk (which is zero) for every realizable data-generating distribution. Our main contribution is this sharp characterization in terms of a combinatorial obstruction: Similarly to Attias et al. (2024), we introduce the notion of an infinite non-decreasing $(\gamma_k)$-Littlestone tree, where $\gamma_k \to \infty$. This extends the Littlestone tree structure used in Bousquet et al. (2020) to the metric loss setting.
Authors: Michael Rottoli, Subhankar Roy, Stefano Paraboschi
Abstract: Diffusion-based Large Language Models (D-LLMs) represent a promising frontier in generative AI, offering fully parallel token generation that can lead to significant throughput advantages and superior GPU utilization over the traditional autoregressive paradigm. However, this parallelism is constrained by the requirement of a fixed-size response length prior to generation. This architectural limitation imposes a severe trade-off: oversized response length results in computational waste on semantically meaningless padding tokens, while undersized response length causes output truncation requiring costly re-computations that introduce unpredictable latency spikes. To tackle this issue, we propose Predict-then-Diffuse, a simple and model-agnostic framework that enables compute-budgeted inference per input query by first estimating the response length and then using it to run inference with D-LLM. At its core lies an Adaptive Response Length Predictor (AdaRLP), which estimates the optimal response length given an input query. As a measure against under-estimating the response length and re-running inference with a higher value, we introduce a data-driven safety mechanism based on a small increase of the predicted length. As a whole, our framework avoids wasting computation on padding tokens, at the same time preserving output quality. Experimental validation on multiple datasets demonstrates that Predict-then-Diffuse significantly reduces computational costs (FLOP) compared to the default D-LLM inference mechanism, while being robust to skewed data distributions.
Authors: Roberto E. Medina
Abstract: Large Language Model ensembles improve reasoning accuracy, but only up to a performance boundary beyond which additional deliberation degrades accuracy. We introduce DASE (Deliberative Adaptive Stopping Ensemble), a stopping heuristic for iterative ensemble deliberation that commits early on genuine consensus and applies a global-frequency fallback on fragmented evidence. We make three contributions. (1) DASE produces a commit-type routing partition that generalises across benchmarks and is complementary to verbalized single-call confidence. On GPQA-Extended (N=546, 70B ensemble), the partition yields a 39.5 pp routing gap (right-wall 81.1% vs. left-wall 41.5%). On AIME 2010-2023 (N=261, 120B ensemble, 3 seeds), right-wall commits reach 98.3% accuracy vs. left-wall 72.8% (25.5 pp gap), statistically equivalent to Opus 4.6 Standard verbalized confidence at matched coverage (25.7 pp gap; bootstrap p=0.873); the two mechanisms disagree on 37% of routing assignments. (2) Adaptive stopping, not injection bandwidth, drives accuracy. On AIME-300, bandwidth accounts for only 0.3 pp (ns). On GPQA-Extended at the 120B tier, sparse injection ($\approx15$ tokens/worker/round) achieves 70.9% with a 30.7 pp routing gap; dense injection ($\approx600$ chars/worker/round) achieves 72.2% but with halved right-wall coverage and a narrower 18.9 pp gap. (3) Injection-based methods exhibit an inverted-U accuracy-vs-inference trajectory; this pattern is hypothesis-generating.
Authors: Guoze Sun, Tianya Miao, Haoyang Huang, Huaguan Chen, Han Wan, Rui Zhang, Hao Sun
Abstract: Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate forward analysis but do not close the loop because gradients from objectives to geometry are often unavailable. Existing differentiable methods either rely on restrictive parameterizations or unstable latent optimization driven by scalar objectives, limiting interpretability and part-wise control. To address these challenges, we propose Geometry-Aware Neural Optimizer (\textbf{\textsc{GANO}}), an end-to-end differentiable framework that unifies geometry representation, field-level prediction, and automated optimization/inversion in a single latent-space loop. \textsc{GANO} encodes shapes with an auto-decoder and stabilizes latent updates via a denoising mechanism, and a geometry-informed surrogate provides a reliable gradient pathway for geometry updates. Moreover, \textsc{GANO} supports part-wise control through null-space projection and uses remeshing-free projection to accelerate geometry processing. We further prove that denoising induces an implicit Jacobian regularization that reduces decoder sensitivity, yielding controlled deformations. Experiments on three benchmarks spanning 2D Helmholtz, 2D airfoil, and 3D vehicles show state-of-the-art accuracy and stable, controllable updates, achieving up to +55.9% lift-to-drag improvement for airfoils and ~7% drag reduction for vehicles.
Authors: Yaxin Hou, Jun Ma, Hanyang Li, Bo Han, Jie Yu, Yuheng Jia
Abstract: Semi-supervised learning faces significant challenges in realistic scenarios where labeled data is scarce and unlabeled data follows unknown, arbitrary distributions. We formalize this critical yet under-explored paradigm as Universal Semi-supervised Learning (UniSSL). Existing methods typically leverage unlabeled data via pseudo-labeling. However, they often rely on the idealized assumption of a uniform unlabeled data distribution or require sufficient labeled data to estimate it. In the UniSSL setting, such dependencies lead to numerous erroneous pseudo-labels, thereby triggering representation confusion. Fortunately, we observe that inter-sample relations captured by representations are more reliable than pseudo-labels. Leveraging this insight, we shift our focus to representation-level structural inference to bypass distribution estimation. Accordingly, we propose Simplex Anchored Graph-state Equipartition (SAGE), which captures high-order inter-sample dependencies to establish structural consensus for guiding representation learning. Meanwhile, to mitigate representation confusion, we employ vectors that satisfy a simplex equiangular tight frame to serve as a coordinate frame for guiding inter-class representation separation. Finally, we introduce a weighting strategy based on distribution-agnostic metrics to prioritize reliable pseudo-labels and an auxiliary branch to isolate potentially erroneous pseudo-labels. Evaluations on five standard benchmarks show that SAGE consistently outperforms state-of-the-art methods, with an average accuracy gain of $\textbf{8.52\%}$.
Authors: Xueying Ding, Leman Akoglu
Abstract: Training foundation models is computationally intensive and often slow to converge. We introduce PIQL,Privileged Information for Quick and Quality Learning, the first framework to systematically integrate privileged information (PI) to simultaneously accelerate learning and improve generalization in tabular foundation models (TFMs). We construct two complementary forms of PI: (i) aggregate dataset-level statistics that reduce the burden on in-context learning, and (ii) encodings of the underlying data-generating program, providing knowledge beyond observable data. We further design an architecture that effectively transfers the train-time-only PI by learning to reconstruct it from observed context at inference. We provide a theoretical analysis characterizing conditions under which PI reduces the population-level approximation gap and accelerates convergence in finite-data regimes. Empirical evidence shows that PIQL enables TFMs to achieve faster convergence, lower final loss, and better generalization, in effect, reducing data and compute requirements. Our work establishes PI-guided pretraining as a principled and practical paradigm for improving the efficiency and performance of foundation models.
Authors: Fan Yang, Binyan Xu, Di Tang, Kehuan Zhang
Abstract: GNNs have become a standard tool for learning on relational data, yet they remain highly vulnerable to backdoor attacks. Prior defenses often depend on inspecting specific subgraph patterns or node features, and thus can be circumvented by adaptive attackers. We propose PRAETORIAN, a new defense that targets intrinsic requirements of effective GNN backdoors rather than surface-level cues. Our key observation is that flipping a victim node's prediction requires substantial influence on the victim: attackers tend to either inject many trigger nodes or rely on a small set of highly influential ones. Building on this observation, PRAETORIAN (i) analyzes internal correlations within potential trigger subgraphs to detect abnormally large injected structures, and (ii) quantifies external node influence to identify triggers with disproportionate impact. Across our evaluations, PRAETORIAN reduces the average attack success rate (ASR) to 0.55% with only a 0.62% drop in clean accuracy (CA), whereas state-of-the-art defenses still yield an average ASR of >20% and a CA drop of >3% under the same conditions. Moreover, PRAETORIAN remains effective against a range of adaptive attacks, forcing adversaries to either inject many trigger nodes to achieve high ASR (>80%), which incurs a >10% CA drop, or preserve CA at the cost of limiting ASR to 18.1%. Overall, PRAETORIAN constrains attackers to an unfavorable trade-off between efficacy and detectability.
Authors: Shuyi Chen, Wenbin Zhou, Shixiang Zhu
Abstract: Robust optimization (RO) provides a principled framework for decision-making under uncertainty, but its performance critically depends on the choice of the uncertainty set. While large sets ensure reliability, they often lead to overly conservative decisions, whereas small sets risk excluding the true outcome. Recent data-driven approaches, particularly conformal prediction, offer finite-sample validity guarantees but remain largely task-agnostic, ignoring the downstream decision structure. In this paper, we propose a decision-aware conformal framework that learns uncertainty sets tailored to robust optimization objectives. Our approach parameterizes a flexible family of polyhedral sets via data-driven hyperplanes and learns their geometry by directly minimizing the induced robust loss, while preserving statistical validity through conformal calibration. To correct for data-dependent selection, we incorporate a re-calibration step on an independent dataset to restore coverage. The resulting sets capture directional and anisotropic uncertainty aligned with the decision objective while remaining computationally tractable. We provide finite-sample coverage guarantees and bounds on the sub-optimality gap to an oracle decision. This work bridges the gap between statistical validity and decision optimality, providing a principled framework for data-driven robust optimization.
Authors: Yusuf Syed, Viraj Parimi, Brian Williams
Abstract: Temporally contrastive representation learning induces a latent structure capable of reducing long-horizon planning to inference in a low-dimensional linear system. However, existing contrastive planning work learns a single latent geometry which cannot distinguish multiple valid behaviors trading task efficiency against risk exposure for the same start-goal query. We introduce MoMo, a preference-conditioned contrastive planner allowing a scalar user preference to continuously modulate plan conservativeness at inference time, without retraining. MoMo learns a joint conditioning of the representation geometry and latent prediction operator via Feature-Wise Linear Modulation and low-rank neural modulation, respectively. We show that our formulation preserves the probability density ratio encoded in the representation space that is required for inference-driven contrastive planning, further retaining its inference-time efficiency. Across six environments, MoMo smoothly adapts plan safety according to user preferences, yielding improved temporal and preferential consistency over state augmentation baselines.
Authors: Willy Fitra Hendria
Abstract: Autoregressive inference is typically assumed to scale predictably with decoding length, with latency increasing smoothly as generated sequence length grows. In this work, we identify unexpected non-monotonic latency behavior in the Apple MPS backend, where latency changes abruptly across nearby decoding configurations during transformer decoding. Using multiple model families (GPT-2, BLOOM, and OPT), we observe latency spikes of up to 21x within specific decoding-budget intervals, followed by recovery at neighboring configurations. Controlled experiments show that these anomalies originate primarily during the decode phase rather than prefill, are not explained by memory pressure alone, and remain absent on CPU and NVIDIA CUDA backends under identical conditions. We further show that key-value (KV) cache interacts strongly with these pathological execution regimes: KV caching remains beneficial overall, but its practical speedup collapses sharply within anomalous configurations, while cache-disabled decoding still exhibits residual non-monotonic behavior. These findings suggest that autoregressive decoding on MPS enters discrete execution regimes that are not captured by coarse-grained benchmarking, highlighting the importance of hardware-aware evaluation for long-context inference.
Authors: Md Rafid Islam
Abstract: Machine learning-based Android malware detectors often fail in real-world deployment due to domain shift, where models trained on one data source perform poorly on applications from another. This paper presents a comprehensive study on the generalizability and interpretability of permission-based detectors under cross-domain conditions. Using two complementary datasets (PerMalDroid and NATICUSdroid) and five ensemble classifiers, we first establish an intra-domain baseline, where models achieve over 92% accuracy, and then quantify a severe asymmetric performance drop. While models trained on PerMalDroid generalize well to NATICUSdroid (86% accuracy), the reverse direction sees a drastic drop to 73% accuracy. Explainable AI analysis reveals bimodal feature distributions and shows that feature importance is highly unstable, with key permissions losing or gaining influence across domains. The predictive feature sets for different domains are fundamentally mismatched, as models rely on different, dataset-specific permissions. Most importantly, an ablation study demonstrates that for most models, training on a noisy feature set leads to poor generalization, confirming that domain-specific artifacts are a greater obstacle than missing features. To mitigate this, we validate a hybrid training strategy based on the intersection of common features and successfully recover cross-domain performance, achieving 88% accuracy on PerMalDroid and maintaining 97% on NATICUSdroid. These findings highlight the importance of explainable, cross-domain-robust malware detection systems and provide a practical pathway toward improving real-world deployment of permission-based Android malware detectors.
Authors: Zhiyao Zhang, Myeung Suk Oh, Zhen Qin, Jiaxiang Li, Xin Zhang, Jia Liu
Abstract: In recent years, bilevel optimization (BLO) has attracted significant attention for its broad applications in machine learning. However, most existing works on BLO remain confined to the single-task setting and rely on the lower-level strong convexity assumption, which significantly restricts their applicability to modern machine learning problems of growing complexity. In this paper, we make the first attempt to extend BLO to the multi-task setting under a relaxed lower-level general convexity (LLGC) assumption. To this end, we reformulate the multi-task bilevel learning (MTBL) problem with LLGC into an equality constrained multi-objective optimization (ECMO) problem. However, ECMO itself is a new problem that has not yet been studied in the literature. To address this gap, we first establish a new Karush-Kuhn-Tucker (KKT)-based Pareto stationarity as the convergence criterion for ECMO algorithm design. Based on this foundation, we propose a weighted Chebyshev (WC)-penalty algorithm that achieves a finite-time convergence rate of $O(ST^{-\frac{1}{2})$ to KKT-based Pareto stationarity in both deterministic and stochastic settings, where $S$ denotes the number of objectives, and $T$ is the total iterations. Moreover, by varying the preference vector over the $S$-dimensional simplex, our WC-penalty method systematically explores the Pareto front. Finally, solutions to the ECMO problem translate directly into solutions for the original MTBL problem, thereby closing the loop between these two foundational optimization frameworks.
Authors: Will LeVine, Brendan Evers, Sam Saltwick, Abhay Venkatesh
Abstract: Iterative self-refinement is a popular inference-time reliability technique, but its effectiveness in code-mode tool use depends heavily on the structure of the feedback signal: unstructured critique helps inconsistently across models, and even revision with real execution feedback improves only modestly ($0.75$ vs. $0.65$ baseline). The dominant failures are inter-tool contract violations - wrong output shape, incorrect tool routing, broken argument provenance - that run to completion without raising errors, making runtime feedback insufficient. We introduce RubricRefine, a training-free pre-execution reliability layer that generates task- and registry-specific rubrics, scores candidate code against explicit contract checks, and iteratively repairs failures before any execution occurs. With zero execution attempts, RubricRefine reaches $0.86$ on M3ToolEval averaged across seven models-improving over prior inference-time baselines on every model tested on this benchmark, at $2.6X$ lower latency than the strongest non-iterative alternative - and remains flat on the predominantly single-step API-Bank, consistent with the method's reliance on inter-tool contract structure. A rubric-category ablation and calibration analysis further characterize when and why the method works.
Authors: Musa Cim, Poovaiah Palangappa, Miro Hodak, Ravi Dwivedula, Meena Arunachalam, Mahmut Taylan Kandemir
Abstract: Why does full-pipeline FP4 training of large language models often diverge, even when forward activations and activation gradients remain stable? We address this question through a controlled study of MXFP4 quantization in transformer training, progressively enabling FP4 across forward propagation (Fprop), activation gradients (Dgrad), and weight gradients (Wgrad) while holding all other factors fixed. In full pretraining of Llama 3.1-8B on the C4 dataset, we observe that quantizing Wgrad is the primary driver of convergence degradation, whereas FP4 in Fprop and Dgrad alone introduces only modest additional token requirements. To interpret this behavior, we evaluate both structured and stochastic interventions under a controlled experimental setting. We find that stochastic rounding and randomized Hadamard rotations fail to stabilize training once Wgrad is quantized, whereas deterministic Hadamard rotations consistently restore stable optimization. These results suggest that FP4 training instability is driven by structured micro-scaling errors along sensitive gradient paths, rather than by insufficient stochasticity. We run experiments with native MXFP4 support on AMD Instinct MI355X GPUs, enabling controlled investigation of these effects without reliance on software emulation.
Authors: Shuzhang Zhong, Haochen Huang, Shengxuan Qiu, Pengfei Zuo, Runsheng Wang, Meng Li
Abstract: Tree-of-Thought (ToT) reasoning structures Large Language Model (LLM) inference as a tree-based search, demonstrating strong potential for solving complex mathematical and programming tasks. However, its efficiency is constrained by the reward dependency barrier -- a synchronization bottleneck caused by sequential reward-guided exploration that limits search parallelism and introduces substantial latency. Prior system optimizations, mainly designed for linear Chain-of-Thought (CoT) reasoning, cannot address these challenges, leaving the efficiency of ToT underexplored. To enhance ToT reasoning efficiency, we observe that the reasoning paths can be explored speculatively to break the reward synchronization barrier. Therefore, in this paper, we propose SPEX and introduce three key techniques: (i) intra-query speculative path selection to predict and expand high-potential branches of ToT, (ii) inter-query budget allocation to balance speculative resource allocation across queries dynamically, and (iii) adaptive early termination to prune deep and redundant branches for a skewed search tree. We implement SPEX on top of the SGLang framework and evaluate it across diverse ToT algorithms and LLMs. Extensive experiments show that SPEX achieves $1.2 \sim 3 \times$ speedup for different ToT reasoning algorithms. Moreover, SPEX synergizes with token-level speculative decoding, achieving cumulative speedups of up to $4.1\times$. Ablation studies further confirm the contributions of each technique. Overall, SPEX represents a significant step toward efficient and scalable ToT reasoning, unlocking the parallelism required for high-performance inference-time scaling for LLMs.
Authors: Bochao Li, Yao Fu, Wei Chen, Fang Kong
Abstract: Offline-to-online learning aims to improve online decision-making by leveraging offline logged data. A central challenge in this setting is the distribution shift between offline and online environments. While some existing works attempt to leverage shifted offline data, they largely rely on UCB-type algorithms. Thompson sampling (TS) represents another canonical class of bandit algorithms, well known for its strong empirical performance and naturally suited to offline-to-online learning through its Bayesian formulation. However, unlike UCB indices, posterior samples in TS are not guaranteed to be optimistic with respect to the true arm means. This makes indices constructed from purely online and hybrid data difficult to compare and complicates their use. To address this issue, we propose sample-mean anchored TS (Anchor-TS), which introduces a novel median-based anchoring rule that defines the arm index as the median of an online posterior sample, a hybrid posterior sample, and the online sample mean. The median anchoring systematically corrects bias induced by distribution shift by mitigating over-estimation for suboptimal arms and under-estimation for optimal arms, while exploiting offline information to obtain more accurate estimates when the shift is small. We establish theoretical guarantees showing that the proposed algorithm safely leverages offline data to accelerate online learning, and quantifying how the degree of distribution shift and the size of offline data affect the resulting regret reduction. Extensive experiments demonstrate consistent improvements of our algorithm over baselines.
Authors: Yang Yang, Du Yin, Hao Xue, Flora Salim
Abstract: Modeling uncertainty in heavy-tailed time series remains a critical challenge for deep probabilistic forecasting models, which often struggle to capture abrupt, extreme events. While L\'evy stable distributions offer a natural framework for modeling such non-Gaussian behaviors, the intractability of their probability density functions severely limits conventional likelihood-based inference. To address this, we introduce DeepL\'evy, a neural framework that learns mixtures of L\'evy stable distributions by minimizing the discrepancy between empirical and parametric characteristic functions. DeepL\'evy incorporates a mixture mechanism that adaptively learns context-dependent weights and parameters over multiple L\'evy components, enabling flexible multi-horizon uncertainty modeling. Evaluations on both real and synthetic datasets demonstrate that DeepL\'evy outperforms state-of-the-art deep probabilistic forecasting approaches in tail risk metrics, especially under extreme volatility.
Authors: Liang Luo, Yinbin Ma, Quanyu Zhu, Vasiliy Kuznetsov, Yuxin Chen, Jian Jiao, Jiecao Yu, Buyun Zhang, Tongyi Tang, Xiaohan Wei, Yanli Zhao, Zeliang Chen, Yuchen Hao, Venkatesh Ranganathan, Sandeep Parab, Yantao Yao, Maxim Naumov, Chunzhi Yang, Shen Li, Ellie Wen, Wenlin Chen, Santanu Kolay, Chunqiang Tang
Abstract: Recent GPU generations deliver significantly higher FLOPs using lower-precision arithmetic, such as FP8. While successfully applied to large language models (LLMs), its adoption in large recommendation models (LRMs) has been limited. This is because LRMs are numerically sensitive, dominated by small matrix multiplications (GEMMs) followed by normalization, and trained in communication-intensive environments. Applying FP8 directly to LRMs often degrades model quality and prolongs training time. These challenges are inherent to LRM workloads and cannot be resolved merely by introducing better FP8 kernels. Instead, a system-model co-design approach is needed to successfully integrate FP8. We present LoKA (Low-precision Kernel Applications), a framework that makes FP8 practical for LRMs through three principles: profile under realistic distributions to know where low precision is safe, co-design model components with hardware to expand where it is safe, and orchestrate across kernel libraries to maximize the gains. Concretely, LoKA Probe is a statistically grounded, online benchmarking method that learns activation and weight statistics, and quantifies per-layer errors. This process pinpoints safe and unsafe, fast and slow sites for FP8 adoption. LoKA Mods is a set of reusable model adaptations that improve both numerical stability and execution efficiency with FP8. LoKA Dispatch is a runtime that leverages the statistical insights from LoKA Probe to select the fastest FP8 kernel that satisfies the accuracy requirements.
Authors: Saheed Faremi, Andrea Visentin, Luca Longo
Abstract: EEG microstate analysis segments continuous brain electrical activity into brief, quasi-stable topographic configurations that reflect discrete functional brain states. Conventional approaches such as Modified K-Means operate directly in electrode space with hard assignment, offering no learned latent representation, no generative decoder, and no mechanism to decode latent configurations into verifiable scalp topographies, limiting both model transparency and interpretability. To address this, we present a Convolutional Variational Deep Embedding (Conv-VaDE) model that jointly learns topographic reconstruction and probabilistic soft clustering in a shared latent space. Conv-VaDE enables generative decoding of cluster prototypes into verifiable scalp topographies, replacing opaque hard partitioning with probabilistic soft assignment. A polarity invariance scheme and a four-dimensional grid search over cluster count (K from 3 to 20), latent dimensionality, network depth, and channel width are conducted to systematically reveal how each architectural design choice shapes the quality, stability, and interpretability of learned EEG microstate representations. The model is evaluated on the LEMON resting-state eyes-closed EEG dataset with ten participants using topographic template formation, clustering stability, and global explained variance (GEV). The architecture search reveals that depth L = 4 appears consistently across all 18 best-performing configurations, yielding a best-case GEV of 0.730 and a silhouette of 0.229 at K = 4 across the model sweeps, where moderately deep networks with compact channel widths and small latent dimensionality dominate across the full K range. These results establish that principled architecture search, rather than model scale, is the key to interpretable and stable EEG microstate discovery via variational deep embedding.
Authors: Jiazheng Zhang, Ziche Fu, Junrui Shen, Yunbin Zhao, Yunke Zhang, Zhiheng Xi, Long Ma, Chenxin An, Zhihao Zhang, Shichun Liu, Dingwei Zhu, Shihan Dou, Shaofan Liu, Han Li, Wiggin Zhou, Aiden Adams, Tao Gui, Fei Huang, Qi Zhang, Xuanjing Huang
Abstract: Policy entropy has emerged as a fundamental measure for understanding and controlling exploration in reinforcement learning with verifiable rewards (RLVR) for LLMs. However, existing entropy-aware methods mainly regulate entropy through global objectives, while the token-level mechanism by which sampled policy updates reshape policy entropy remains underexplored. In this work, we develop a theoretical framework of entropy mechanics in RLVR. Our analysis yields a first-order approximation of the entropy change, giving rise to entropy polarity, a signed token-level quantity that predicts how much a sampled update expands or contracts entropy. This analysis further reveals a structural asymmetry: reinforcing frequent high-probability tokens triggers contraction tendencies, whereas expansive tendencies typically require lower-probability samples or stronger distributional correction. Empirically, we show that entropy polarity reliably predicts entropy changes, and that positive and negative polarity branches play complementary roles in preserving exploration while strengthening exploitation. Building on these insights, we propose Polarity-Aware Policy Optimization (PAPO), which preserves both polarity branches and implements entropy control through advantage reweighting. With the empirical entropy trajectory as an online phase signal, PAPO adaptively reallocates optimization pressure between entropy-expanding and entropy-contracting updates. Experiments on mathematical reasoning and agentic benchmarks show that PAPO consistently outperforms competitive baselines, while delivering superior training efficiency and substantial reward improvements.
Authors: Sijia Li, Yuchen Huang, Zifan Liu, Yanping Li, Jingjing Fu, Li Zhao, Jiang Bian, Ling Zhang, Jun Zhang, Rui Wang
Abstract: Reinforcement learning has become a widely used post-training approach for LLM agents, where training commonly relies on outcome-level rewards that provide only coarse supervision. While finer-grained credit assignment is promising for effective policy updates, obtaining reliable local credit and assigning it to the right parts of the long-horizon trajectory remains an open challenge. In this paper, we propose Granularity-adaptivE Advantage Reweighting (GEAR), an adaptive-granularity credit assignment framework that reshapes the trajectory-level GRPO advantage using token- and segment-level signals derived from self-distillation. GEAR compares an on-policy student with a ground-truth-conditioned teacher to obtain a reference-guided divergence signal for identifying adaptive segment boundaries and modulating local advantage weights. This divergence often spikes at the onset of a semantic deviation, while later tokens in the same autoregressive continuation may return to low divergence. GEAR therefore treats such spikes as anchors for adaptive credit regions: where the student remains aligned with the teacher, token-level resolution is preserved; where it departs, GEAR groups the corresponding continuation into an adaptive segment and uses the divergence at the departure point to modulate the segment' s advantage. Experiments across eight mathematical reasoning and agentic tool-use benchmarks with Qwen3 4B and 8B models show that GEAR consistently outperforms standard GRPO, self-distillation-only baselines, and token- or turn-level credit-assignment methods. The gains are especially strong on benchmarks with lower GRPO baseline accuracy, reaching up to around 20\% over GRPO, suggesting that the proposed adaptive reweighting scheme is especially useful in more challenging long-horizon settings.
Authors: Igor Strozzi
Abstract: We measure procedural-skill SFT contribution across three Qwen3.5 dense scales (0.8B, 2B, 4B) on a 200-task / 40-skill holdout, with Claude Haiku 4.5 as a frontier reference. The corpus is 353 rows of (task + procedural-skill block, Opus chain-of-thought, judge-pass) demonstrations. Main finding. Under matched-path LLM-only scoring, the SFT-attributable procedural-$\Delta$ lift is roughly uniform across sizes: $+0.070 / +0.040 / +0.075$ at 0.8B / 2B / 4B. Variation in post-SFT $\Delta$ ($-0.005$, $+0.100$, $+0.065$) is dominated by a W-shaped pre-SFT base trajectory ($-0.075$, $+0.060$, $-0.010$, Haiku-4-5 at $+0.030$): the 5-step procedure hurts 0.8B and 4B, helps 2B, and helps frontier Haiku modestly. SFT works hardest in absolute terms where the base struggles with the procedure -- a regime-asymmetric pattern with a falsifiable prediction at 8B/14B. Methodology. (i) A bench format-compliance artifact: 83.5% of the holdout uses a deterministic ANSWER-line extractor that under-counts free-form-prose conclusions; our LLM-only re-judge reveals it was systematically biased against the curated condition. (ii) A negative-iteration sequence at 0.8B: three well-formed recipe variants cluster post-SFT curated pass-rate within a 2 pp band, constraining the absolute-pass-rate ceiling to base capacity rather than recipe. Cross-family judge validation. GPT-5.4 via OpenRouter on all 7 configurations (2800 paired episodes) agrees on the direction of every per-student finding: Cohen's $\kappa \geq 0.754$, agreement $\geq 93.25\%$, max headline $\Delta$ shift $\leq 0.035$ pp. Two earlier framings -- "format-only learning at 0.8B" and "SFT contribution shrinks at 4B" -- were path-mismatch artifacts; this paper supersedes both. Single-seed evaluation; threats itemised in the paper.
Authors: Sayantani Ghosh, Amit Kumar Das, Amlan Chakrabarti
Abstract: Lack of transparency in AI systems poses challenges in critical real-life applications. It is important to be able to explain the decisions of an AI system to ensure trust on the system. Explainable AI (XAI) algorithms play a vital role in achieving this objective. In this paper, we are proposing a new algorithm for Explaining AI systems, FAMeX (Feature Association Map based eXplainability). The proposed algorithm is based on a graph-theoretic formulation of the feature set termed as Feature Association Map (FAM). The foundation of the modelling is based on association between features. The proposed FAMeX algorithm has been found to be better than the competing XAI algorithms - Permutation Feature Importance (PFI) and SHapley Additive exPlanations (SHAP). Experiments conducted with eight benchmark algorithms show that FAMeX is able to gauge feature importance in the context of classification better than the competing algorithms. This definitely shows that FAMeX is a promising algorithm in explaining the predictions from an AI system
Authors: Hari K. Prakash, Charles H Martin
Abstract: Training Neural Networks (NNs) without overfitting is difficult; detecting that overfitting is difficult as well. We present a novel Random Matrix Theory method that detects the onset of overfitting in deep learning models without access to train or test data. For each model layer, we randomize each weight matrix element-wise, $\mathbf{W} \to \mathbf{W}^{\mathrm{rand}}$, fit the randomized empirical spectral distribution with a Marchenko-Pastur distribution, and identify large outliers that violate self-averaging. We call these outliers Correlation Traps. During the onset of overfitting, which we call the "anti-grokking" phase in long-horizon grokking, Correlation Traps form and grow in number and scale as test accuracy decreases while train accuracy remains high. Traps may be benign or may harm generalization; we provide an empirical approach to distinguish between them by passing random data through the trained model and evaluating the JS divergence of output logits. Our findings show that anti-grokking is an additional grokking phase with high train accuracy and decreasing test accuracy, structurally distinct from pre-grokking through its Correlation Traps. More broadly, we find that some foundation-scale LLMs exhibit the same Correlation Traps, indicating potentially harmful overfitting.
Authors: Leonardo N. Coregliano, William Opich
Abstract: Recently, a series of works have started studying variations of concepts from learning theory for product spaces, which can be collected under the name high-arity learning theory. In this work, we consider a high-arity variant of sample compression schemes and we prove that the existence of a high-arity sample compression scheme of non-trivial quality implies high-arity PAC learnability.
Authors: Yuanda Xu, Hejian Sang, Zhengze Zhou, Ran He, Zhipeng Wang, Alborz Geramifard
Abstract: When labeled verifiable training data is scarce, each checked example should be used where it has the most value. A common approach is to train the deployment student model directly with sparse RL methods such as GRPO. We argue that this is often inefficient. Sparse sequence-level reward is most useful for strong models that can explore and discover better behavior, while dense token-level teacher supervision is better suited for compressing that behavior into a smaller student. This suggests a simple allocation rule: use scarce labeled data upstream to improve the strongest available teacher, then transfer the improved behavior downstream through dense supervision. In this view, GRPO-style sparse RL and OPD-style distillation are not competing methods, but two reward-density regimes used at different stages. We evaluate this rule on verifiable math tasks with Qwen3 and Llama models. For a fixed Qwen3-1.7B deployment student, distilling from an RL-improved 8B teacher outperforms applying GRPO directly to the student with the same labeled data. In contrast, distilling from the same teacher before RL gives weaker results. The transfer bridge is also important: a forward-KL warmup on teacher rollouts followed by OPD on student rollouts performs best on MATH before any later student-side sparse RL, and gives the strongest pre-Stage 3 AIME results for the canonical 8B and 14B teachers. Finally, the bridge makes later student-side RL more effective. GRPO is weak when applied to a cold student, but after the bridge it raises MATH accuracy from 75.4% to 78.5%, outperforming a matched replay control by 2.8 points. Overall, the lesson is to avoid spending scarce labeled data on the least prepared policy: use sparse reward for teacher-side discovery, dense transfer for student compression, and student-side sparse reward only after the student has been bridged.
Authors: Rishabh Tiwari, Kusha Sareen, Lakshya A Agrawal, Joseph E. Gonzalez, Matei Zaharia, Kurt Keutzer, Inderjit S Dhillon, Rishabh Agarwal, Devvrit Khatri
Abstract: Large language models (LLMs) are trained for downstream tasks by updating their parameters (e.g., via RL). However, updating parameters forces them to absorb task-specific information, which can result in catastrophic forgetting and loss of plasticity. In contrast, in-context learning with fixed LLM parameters can cheaply and rapidly adapt to task-specific requirements (e.g., prompt optimization), but cannot by itself typically match the performance gains available through updating LLM parameters. There is no good reason for restricting learning to being in-context or in-weights. Moreover, humans also likely learn at different time scales (e.g., System 1 vs 2). To this end, we introduce a fast-slow learning framework for LLMs, with model parameters as "slow" weights and optimized context as "fast" weights. These fast "weights" can learn from textual feedback to absorb the task-specific information, while allowing slow weights to stay closer to the base model and persist general reasoning behaviors. Fast-Slow Training (FST) is up to 3x more sample-efficient than only slow learning (RL) across reasoning tasks, while consistently reaching a higher performance asymptote. Moreover, FST-trained models remain closer to the base LLM (up to 70% less KL divergence), resulting in less catastrophic forgetting than RL-training. This reduced drift also preserves plasticity: after training on one task, FST trained models adapt more effectively to a subsequent task than parameter-only trained models. In continual learning scenarios, where task domains change on the fly, FST continues to acquire each new task while parameter-only RL stalls.
Authors: Parv Kapoor, Abigail Hammer, Ashish Kapoor, Karen Leung, Eunsuk Kang
Abstract: Runtime monitoring of autonomous systems traditionally relies on mapping continuous sensor observations to discrete logical propositions defined over low-dimensional state variables. This abstraction breaks down in perception-driven settings, where such mappings require additional learned modules that are often computationally expensive, brittle, and semantically misaligned. In this work, we propose Embedding Temporal Logic (ETL), a temporal logic that performs monitoring directly in learned embedding spaces. ETL defines predicates through distances between observed embeddings and target embeddings derived from reference observations. This formulation allows specifications to capture high-level perceptual concepts, such as similarity to visual goals or avoidance of semantic regions, that are difficult or impossible to express using traditional predicates. By composing these predicates with temporal operators, ETL naturally expresses temporally extended and sequential perceptual behaviors. We introduce ETL monitors for evaluating specifications over bounded embedding traces, along with a conformal calibration procedure that provides reliable and safety-oriented predicate evaluation. We evaluate our approach across multiple manipulation environments to show that ETL achieves strong empirical agreement with ground-truth semantics, including accurate monitoring of temporally composed behaviors.
Authors: Jack Young
Abstract: We introduce WriteSAE, the first sparse autoencoder that decomposes and edits the matrix cache write of state-space and hybrid recurrent language models, where residual SAEs cannot reach. Existing SAEs read residual streams, but Gated DeltaNet, Mamba-2, and RWKV-7 write to a $d_k \times d_v$ cache through rank-1 updates $k_t v_t^\top$ that no vector atom can replace. WriteSAE factors each decoder atom into the native write shape, exposes a closed form for the per-token logit shift, and trains under matched Frobenius norm so atoms swap one cache slot at a time. Atom substitution beats matched-norm ablation on 92.4% of $n=4{,}851$ firings at Qwen3.5-0.8B L9 H4, the 87-atom population test holds at 89.8%, the closed form predicts measured effects at $R^2=0.98$, and Mamba-2-370M substitutes at 88.1% over 2,500 firings. Sustained three-position installs at $3\times$ lift midrank target-in-continuation from 33.3% to 100% under greedy decoding, the first behavioral install at the matrix-recurrent write site.
Authors: Andrew Y. Zhou, Sharvaree Vadgama, Sumanth Varambally, Peter Eckmann, Michael K. Gilson, Rose Yu
Abstract: Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality ligand candidates, a result of the syntactic limitations of current models with regard to molecular strings. In this paper, we introduce $\texttt{ToolMol}$, an evolutionary agentic framework for de novo drug design. $\texttt{ToolMol}$ combines a multi-objective genetic algorithm with an agentic LLM operator that iteratively updates the ligand population. We build a comprehensive toolbox of RDKit-backed functions that allows our agentic operator to consisently make precise ligand modifications. $\texttt{ToolMol}$ achieves state-of-the-art performance on multi-objective property optimization tasks, discovering drug-like and synthesizable ligands that have $>10\%$ stronger predicted binding affinity compared to existing methods, evaluated on three protein targets. $\texttt{ToolMol}$ ligands additionally achieve state-of-the-art results in gold-standard Absolute Binding Free Energy scores, gaining over existing methods by over $35\%$. By studying chain-of-thought reasoning traces, we observe that tool-calling enables the model to more faithfully execute its planned modifications, efficiently exploiting the strong chemical prior knowledge in LLMs.
Authors: Ling-Qi Zhang, Kristin Branson
Abstract: Neuroscience data are highly fragmented across labs, formats, and experimental paradigms, and reuse often requires substantial manual effort. A persistent roadblock to data reuse and integration is the need to decipher bespoke and diverse data formatting choices. Common data formats have been proposed in response, but the field continues to struggle with a fundamental tension: formats flexible enough to accommodate diverse experiments are rarely descriptive enough to be self-explanatory, and sufficiently descriptive formats demand detailed documentation and curation effort that few labs can sustain. Agentic AI is a natural candidate to solve this problem: LLMs read code and text faster and with sustained attention to the low-level details humans tend to skim over. To measure how well agentic AI performs on this task, we selected eight recent papers studying large-scale mouse neural population recordings that shared both data and code, spanning diverse recording modalities, behavioral paradigms, and dataset formats (e.g., NWB, specialized APIs, and general-purpose Python or MATLAB files). We provided agents with the data, code, and paper, and prompted them to load, understand, and reformat the data for a common downstream task: training a decoder from neural activity to task or behavioral variables. General-purpose coding agents commonly used by scientists performed well on each sub-task, but rarely strung together a fully error-free end-to-end solution. We characterize the types of mistakes agents made and the dataset properties that elicited them, and propose data-sharing best practices for the agentic-AI era. We further find that agents-as-judges are unreliable at catching errors, especially without ground-truth references, so interactive, human-in-the-loop coding remains necessary.
Authors: Guiquan Sun, Xikun Zhang, Jingchao Ni, Dongjin Song
Abstract: Continual graph learning (CGL) aims to learn from dynamically evolving graphs while mitigating catastrophic forgetting. Existing CGL approaches typically adopt a task-based formulation, where the data stream is partitioned into a sequence of discrete tasks with pre-defined boundaries. However, such assumptions rarely hold in real-world environments, where data distributions evolve continuously and task identity is often unavailable. To better reflect realistic non-stationary environments, we revisit continual graph learning from a task-free perspective. We propose a unified formulation that models the data stream as a time-varying mixture of latent task distributions, enabling continuous modeling of distribution drift. Based on this formulation, we construct \emph{DRIFT}, a benchmark that spans a spectrum of transition dynamics ranging from hard task switches to smooth distributional drift through a Gaussian parameterization. We evaluate representative continual learning methods under this task-free setting and observe substantial performance degradation compared to traditional task-based protocols. Our findings indicate that many existing approaches implicitly rely on task boundary information and struggle under realistic task-free graph streams. This work highlights the importance of studying continual graph learning under realistic non-stationary conditions and provides a benchmark for future research in this direction. Our code is available at https://github.com/UConn-DSIS/DRIFT.
Authors: Danny Wang, Ruihong Qiu, Zi Huang
Abstract: Graph neural networks are widely used for node classification, but they remain vulnerable to out-of-distribution (OOD) shifts in node features and graph structure. Prior work established that methods trained with standard supervised learning (SL) objectives tend to capture spurious signals from either features and/or structure, leaving the model fragile under distributional changes. To address this, we propose TIDE, a novel and effective Tri-Component Information Decomposition framework that explicitly decomposes information into feature-specific, structure-specific and joint components. TIDE aims to preserve only the label-relevant part of the joint information while filtering out spurious feature- and structure-specific information, thereby enhancing the separation between in-distribution (ID) and OOD nodes. Beyond the framework, we provide theoretical and empirical analyses showing that an information bottleneck objective is preferable to standard SL for graph OOD detection, with higher ID confidence and a greater entropy gap between ID and OOD data. Extensive experiments across seven datasets confirm the efficacy of TIDE, achieving up to a 34% improvement in FPR95 over strong baselines while maintaining competitive ID accuracy.
Authors: Chaokai Wu, Haofu Shi, Ningxuan Ma, Jianghong Ma, Xiaofeng Zhang
Abstract: Graph Neural Networks (GNNs) suffer from over-squashing in deep message passing, where information from exponentially growing neighborhoods is compressed into fixed-dimensional representations. We show that this issue becomes a distinct failure mode in multi-label graphs: neighboring nodes often share only limited labels while differing across many irrelevant ones, causing predictive signals to be diluted by noisy label information. To address this challenge, we propose the Multi-Label Graph Information Bottleneck (MLGIB), which formulates multi-label message passing as constrained information transmission under irrelevant label noise. MLGIB balances expressiveness and robustness by preserving predictive label signals while suppressing irrelevant noise. Specifically, it constructs a Markovian dependence space and derives tractable variational bounds, where the lower bound maximizes mutual information with target labels and the upper bound constrains redundant source information. These bounds lead to an end-to-end label-aware message-passing architecture. Extensive experiments on multiple benchmarks demonstrate consistent improvements over existing methods, validating the effectiveness and generality of the proposed framework.
Authors: Linghao Jin, Chufan Shi, Huijuan Wang, Nuan Wen, Zhengzhong Liu, Eric Xing, Xuezhe Ma
Abstract: Sparse Mixture-of-Experts (MoE) models offer a powerful way to scale model size without increasing compute, as per-token FLOPs depend only on k active experts rather than the total pool of E experts. Yet, this asymmetry creates an MoE efficiency paradox in practice: adding more experts balloons memory and communication costs, making actual training inefficient. We argue that this bottleneck arises in part because current MoE training allocates too many experts from the beginning, even though early-stage data may not fully utilize such capacity. Motivated by this, we propose EMO, a simple progressive training framework that treats MoE capacity as expandable memory and grows the expert pool over the course of training. EMO explicitly models sparsity in scaling law to derive stage-wise compute-optimal token budgets for progressive expansion. Empirical results show that EMO matches the performance of a fixed-expert setup in large-scale experiments while improving wall-clock efficiency. It offers a surprisingly simple yet effective path to scalable MoE training, preserving the benefits of large expert pools while reducing both training time and GPU cost.
Authors: Coleman Hooper, Minwoo Kang, Suhong Moon, Nicholas Lee, Eric Wen, John Wawrzynek, Michael W. Mahoney, Yakun Sophia Shao, Amir Gholami, Kurt Keutzer
Abstract: There is a growing demand for agentic AI technologies for a range of downstream applications like customer service and personal assistants. For applications where the agent needs to interact with a person, real-time low-latency responsiveness is required; for example, with voice-controlled applications, under 1 second of latency is typically required for the interaction to feel seamless. However, if we want the LLM to reason and execute an agentic workflow with tool calling, this can add several seconds or more of latency, which is prohibitive for real-time latency-sensitive applications. In our work, we propose Speculative Interaction Agents to enable real-time interaction even for agents with complex multi-turn tool calling. We propose Asynchronous I/O, which decouples the core agent reason-and-act thread from waiting for additional information from either the user or environment, thereby allowing for overlapping agentic processing while waiting on external delays. We also propose Speculative Tool Calling as a method to manage task execution when the agent is still unsure if it has received the full information or if additional user information may later be provided. For strong cloud models, our method can be applied out-of-the-box to existing real-time cloud APIs, providing 1.3-1.7$\times$ speedups with minor accuracy loss. To enable real-time interaction with small edge-scale models, we also present a clock-based training methodology that adapts the model to handle streaming inputs and asynchronous responses, and demonstrate a synthetic data generation strategy for SFT. Altogether, this approach provides 1.6-2.2$\times$ speedups with the Qwen2.5-3B-Instruct and Llama-3.2-3B-Instruct models across multiple tool calling benchmarks.
Authors: Yuval Filmus, Shay Moran, Elizaveta Nesterova, Nir Rosenfeld, Alexander Shlimovich
Abstract: Strategic classification studies learning settings in which individuals can modify their features, at a cost, in order to influence the classifier's decision. A central question is how the sample complexity of the induced (strategic) hypothesis class depends on the complexities of the underlying hypothesis class and the cost structure governing feasible manipulations. Prior work has shown that in several natural settings, such as linear classifiers with norm costs, the induced complexity can be controlled. We begin by showing that such guarantees fail in general - even in simple cases: there exist hypothesis classes of VC dimension $1$ on the real line such that, even under the simplest interval neighborhoods, the induced class has infinite VC dimension. Thus, strategic behavior can turn an easy learning problem into a non-learnable one. To overcome this, we introduce structure via a geometric definability assumption: both the hypothesis class and the cost-induced neighborhood relation can be defined by first-order formulas over $\mathbb{R}_{\mathtt{exp}}$. Intuitively, this means that hypotheses and costs can be described using arithmetic operations, exponentiation, logarithms, and comparisons. This captures a broad range of natural classes and cost functions, including $\ell_p$ distances, Wasserstein distance, and information-theoretic divergences. Under this assumption, we prove that learnability is preserved, with sample complexity controlled by the complexity of the defining formulas.
Authors: Kaiwen Shi, Carlos Oliver
Abstract: Protein structure tokenizers (PSTs) are workhorses in protein language modeling, function prediction, and evolutionary analysis. However, existing PSTs only capture local geometry of static structures, and miss the correlated motions and alternative conformational states revealed by protein ensembles. Here we introduce Ensembits, the first tokenizer of protein conformational ensembles. Ensembits address challenges inherent to tokenizing dynamics: deriving informative geometric descriptors across conformations, permutation-invariance encoding of variable-size ensembles, and conquering sparsity in dynamics data. Trained with a Residual VQ-VAE using a frame distillation objective on a large molecular dynamics corpus, Ensembits outperforms all related methods on RMSF prediction, and is the strongest standalone structural tokenizer on an token-conditioned ANOVA test on per-residue motion amplitude. Ensembits further matches or exceeds static tokenizers on EC, GO, binding site/affinity prediction, and zero-shot mutation-effect prediction despite using far less pretraining data. Notably, the distillation objective enables Ensembits to predict dynamics token from one single predicted structure, which alleviates dynamics data sparsity. As the field moves from static structure prediction toward ensemble generation, Ensembits offer the discrete vocabulary needed to bring dynamics into protein language modeling and design.
Authors: Benjamin M. Ampel
Abstract: Cyberattacks cause billions of dollars in damage annually, with malicious hackers often sharing exploit code and techniques on underground forums. Identifying which organizations are targeted by these exploits is critical for proactive Cyber Threat Intelligence (CTI). To address that gap, we propose Temporal Representation and Classification of Exploits (TRACE), a vendor-conditioned contrastive learning framework built on CySecBERT that jointly optimizes organizational target classification and vendor-coherent representations while evaluating robustness under temporal distribution shift. Unlike prior work limited to small, single-source datasets, we leverage a large-scale, multi-source corpus spanning 9 exploit databases and hacker forums, comprising 352,866 posts collected over three decades, yielding a 129,126-sample dataset across seven organizational categories. In the temporal out-of-distribution evaluation, TRACE achieves macro F1=97.00\%, substantially outperforming 17 benchmark classical ML methods, deep learning with GloVe/FastText embeddings, and pretrained transformer models.
Authors: Antoine Picard-Weibel, Benjamin Guedj
Abstract: PAC-Bayes generalisation bounds are derived via change-of-measure inequalities that transfer concentration properties from a reference measure to all posterior measures. The specific choice of change of measure determines the assumptions required on the empirical risk; in particular, the classical Donsker--Varadhan theorem leads to bounds relying on bounded exponential moments. We study change-of-measure inequalities based on \(f\)-divergences, obtained by combining the Legendre transform of \(f\) with the Fenchel--Young inequality. Beyond their intrinsic interest in probability theory, we show how these inequalities are helpful in learning theory and yield PAC-Bayes bounds under tailored assumptions on the empirical risk, thereby extending the range of conditions under which PAC-Bayesian guarantees can be established.
Authors: Ganzhao Yuan
Abstract: Nonsmooth composite optimization with orthogonality constraints has a wide range of applications in statistical learning and data science. However, this problem is challenging due to its nonsmooth objective and computationally expensive nonconvex constraints. In this paper, we propose a new approach called \textbf{OBCD}, which leverages block coordinate descent to address these challenges. \textbf{OBCD} is a feasible method with a small computational footprint. In each iteration, it updates \(k\) rows of the solution matrix, where \(k \geq 2\), by globally solving a small nonsmooth optimization problem under orthogonality constraints. We prove the completeness of the proposed update scheme, showing that row-wise orthogonal updates can reach any feasible point from any feasible initialization. We further prove that the limit points generated by \textbf{OBCD}, referred to as global block-\(k\) stationary points, offer stronger optimality than standard critical points. Furthermore, we show that \textbf{OBCD} finds an \(\epsilon\)-block-\(k\) stationary point with an iteration complexity of \(\mathcal{O}(1/\epsilon)\). Additionally, under the Kurdyka--Lojasiewicz (KL) inequality, we establish the non-ergodic convergence rate of \textbf{OBCD}. We also demonstrate how novel breakpoint search methods can be used to solve the subproblems arising in \textbf{OBCD}. Empirical results show that our approach consistently outperforms existing methods.
Authors: Xinwei Shen, Nicolai Meinshausen
Abstract: Dimension reduction techniques usually lose information in the sense that reconstructed data are not identical to the original data. However, we argue that it is possible to have reconstructed data identically distributed as the original data, irrespective of the retained dimension or the specific mapping. This can be achieved by learning a distributional model that matches the conditional distribution of data given its low-dimensional latent variables. Motivated by this, we propose Distributional Principal Autoencoder (DPA) that consists of an encoder that maps high-dimensional data to low-dimensional latent variables and a decoder that maps the latent variables back to the data space. For reducing the dimension, the DPA encoder aims to minimise the unexplained variability of the data with an adaptive choice of the latent dimension. For reconstructing data, the DPA decoder aims to match the conditional distribution of all data that are mapped to a certain latent value, thus ensuring that the reconstructed data retains the original data distribution. Our numerical results on climate data, single-cell data, and image benchmarks demonstrate the practical feasibility and success of the approach in reconstructing the original distribution of the data. DPA embeddings are shown to preserve meaningful structures of data such as the seasonal cycle for precipitations and cell types for gene expression.
Authors: Wenyu Bo (Department of Statistics University of Washington Seattle, WA), Marina Meil\u{a} (Department of Statistics University of Washington Seattle, WA)
Abstract: Under a set of assumptions on a family of submanifolds $\subset {\mathbb R}^D$, we derive a series of geometric properties that remain valid after finite-dimensional and almost isometric Diffusion Maps (DM), including almost uniform density, finite polynomial approximation and reach. Leveraging these properties, we establish rigorous bounds on the embedding errors introduced by the DM algorithm is $O\left((\frac{\log n}{n})^{\frac{1}{8d+16}}\right)$. Furthermore, we quantify the error between the estimated tangent spaces and the true tangent spaces over the submanifolds after the DM embedding, $\sup_{P\in \mathcal{P}}\mathbb{E}_{P^{\otimes \tilde{n}}} \max_{1\leq j \angle (T_{Y_{\varphi(M),j}}\varphi(M),\hat{T}_j)\leq \tilde{n}} \leq C \left(\frac{\log n }{n}\right)^\frac{k-1}{(8d+16)k}$, which providing a precise characterization of the geometric accuracy of the embeddings. These results offer a solid theoretical foundation for understanding the performance and reliability of DM in practical applications.
Authors: Guanghui Lan, Tianjiao Li, Yangyang Xu
Abstract: We present a novel class of projected gradient (PG) methods for minimizing a smooth but not necessarily convex function over a convex compact set. We first provide a novel analysis of the constant-stepsize PG method, achieving the best-known iteration complexity for finding an approximate stationary point of the problem. We then develop an "auto-conditioned" projected gradient (AC-PG) variant that achieves the same iteration complexity without requiring the input of the Lipschitz constant of the gradient or any line search procedure. The key idea is to estimate the Lipschitz constant using first-order information gathered from the previous iterations, and to show that the error caused by underestimating the Lipschitz constant can be properly controlled. We then generalize the PG methods to the stochastic setting, by proposing a stochastic projected gradient (SPG) method and a variance-reduced stochastic gradient (VR-SPG) method, achieving new complexity bounds in different oracle settings. We also present auto-conditioned stepsize policies for both stochastic PG methods and establish comparable convergence guarantees.
Authors: Hossein Molaeian, Kaveh Karamjani, Sina Teimouri, Saeed Roshani, Sobhan Roshani
Abstract: Early detection is crucial for successful cancer treatment and increasing survivability rates, particularly in the most common forms. Ten different cancers have been identified in most of these advances that effectively use CNNs (Convolutional Neural Networks) for classification. The distinct architectures of CNNs used in each study concentrate on pattern recognition for different types of cancer across various datasets. The advantages and disadvantages of each approach are identified by comparing these architectures. This study explores the potential of integrating CNNs into clinical practice to complement traditional diagnostic methods. It also identifies the top-performing CNN architectures, highlighting their role in enhancing diagnostic capabilities in healthcare.
Authors: Aleksander Plocharski, Jan Swidzinski, Przemyslaw Musialski
Abstract: We use hierarchical procedural rules for the generation of control maps within the stable diffusion framework to produce photo-realistic architectural facade images. Starting from a single input image and its segmentation, we apply an inverse procedural module to identify the facade's hierarchical layout. Leveraging this hierarchy and structural features, we introduce a novel ControlNet pipeline that generates new facade imagery guided by procedural transformations. Our method enables various structural edits, including floor duplication and window rearrangement, by integrating hierarchical alignment directly into control maps. This precisely guides the diffusion-based generative process, ensuring local appearance fidelity alongside extensive structural modifications. Comprehensive evaluations, including comparisons with inpainting-based approaches and synthetic benchmarks, confirm our approach's superior capability in preserving architectural identity and achieving accurate, controllable edits. Quantitative results and user feedback validate our method's effectiveness.
Authors: Pascal K\"undig, Fabio Sigrist
Abstract: Mixed-effects models are widely used to model data with hierarchical grouping structures and high-cardinality categorical predictor variables. However, for high-dimensional crossed random effects, current standard computations relying on Cholesky decompositions can become prohibitively slow. In this work, we present Krylov subspace-based methods that address existing computational bottlenecks, and we analyze them both theoretically and empirically. In particular, we derive new results on the convergence and accuracy of the preconditioned stochastic Lanczos quadrature and conjugate gradient methods for mixed-effects models, and we develop scalable methods for calculating predictive variances. In experiments with simulated and real-world data, the proposed methods yield speedups by factors of up to about 10,000 and are numerically more stable than Cholesky-based computations.
Authors: Shijun Li, Hilaf Hasson, Joydeep Ghosh
Abstract: Agents powered by advanced large language models (LLMs) have demonstrated impressive capabilities across diverse complex applications. Recently, Multi-Agent Systems (MAS), wherein multiple agents collaborate and communicate with each other, have exhibited enhanced capabilities in complex tasks, such as high-quality code generation and arithmetic reasoning. However, the development of such systems often relies on handcrafted methods, and the literature on systematic design and optimization of LLM-based MAS remains limited. In this work, we introduce \textbf{OMAC}, a general framework designed for holistic optimization of LLM-based MAS. Specifically, we identify five key optimization dimensions for MAS, encompassing both agent functionality and collaboration structure. Building upon these dimensions, we first propose a general algorithm, utilizing two actors termed the Semantic Initializer and the Contrastive Comparator, to optimize any single dimension. Then, we present an algorithm for joint optimization across multiple dimensions. Extensive experiments demonstrate the superior performance of OMAC on diverse tasks against recent approaches.
Authors: Minseo Kim, Axel Levy, Gordon Wetzstein
Abstract: Ill-posed inverse problems are fundamental in many domains, ranging from astrophysics to medical imaging. Emerging diffusion models provide a powerful prior for solving these problems. Existing maximum-a-posteriori (MAP) or posterior sampling approaches, however, rely on different computational approximations, leading to inaccurate or suboptimal samples. To address this issue, we introduce a new approach to solving MAP problems with diffusion model priors using a dual ascent optimization framework. Our framework achieves better image quality as measured by various metrics for image restoration problems, it is more robust to high levels of measurement noise, it is faster, and it estimates solutions that represent the observations more faithfully than the state of the art.
Authors: Zhuoyun Zhong, Seyedali Golestaneh, Constantinos Chamzas
Abstract: Planning with learned dynamics models offers a promising approach toward versatile real-world manipulation, particularly in nonprehensile settings such as pushing or rolling, where accurate analytical models are difficult to obtain. However, collecting training data for learning-based methods can be costly and inefficient, as it often relies on randomly sampled interactions that are not necessarily the most informative. Furthermore, learned models tend to exhibit high uncertainty in underexplored regions of the skill space, undermining the reliability of long-horizon planning. To address these challenges, we propose ActivePusher, a novel framework that combines residual-physics modeling with uncertainty-based active learning, to focus data acquisition on the most informative skill parameters. Additionally, ActivePusher seamlessly integrates with model-based kinodynamic planners, leveraging uncertainty estimates to bias control sampling toward more reliable actions. We evaluate our approach in both simulation and real-world environments, and demonstrate that it consistently improves data efficiency and achieves higher planning success rates in comparison to baseline methods. The source code is available at https://github.com/elpis-lab/ActivePusher.
Authors: Ryan Thompson, Matt P. Wand, Joanna J. J. Wang
Abstract: Linear mixed models (LMMs), which incorporate fixed and random effects, are key tools for analyzing heterogeneous data, such as in personalized medicine. Nowadays, this type of data is increasingly wide, sometimes containing thousands of candidate predictors, necessitating sparsity for prediction and interpretation. However, existing sparse learning methods for LMMs do not scale well beyond tens or hundreds of predictors, leaving a large gap compared with sparse methods for linear models, which ignore random effects. This paper closes the gap with a new $\ell_0$ regularized method for LMM subset selection that can run on datasets containing thousands of predictors in seconds to minutes. On the computational front, we develop a coordinate descent algorithm as our main workhorse and provide a guarantee of its convergence. We also develop a local search algorithm to help traverse the nonconvex optimization surface. Both algorithms readily extend to subset selection in generalized LMMs via a penalized quasi-likelihood approximation. On the statistical front, we provide a finite-sample bound on the Kullback-Leibler divergence of the new method. We then demonstrate its excellent performance in experiments involving synthetic and real datasets.
Authors: Maria Jo\~ao Lavoura, Robert Jungnickel, Jo\~ao Vinagre
Abstract: The typical offline protocol to evaluate recommendation algorithms is to collect a dataset of user-item interactions and then use a part of this dataset to train a model, and the remaining data to measure how closely the model recommendations match the observed user interactions. This protocol is straightforward, useful and practical, but it only provides snapshot performance. We know, however, that online systems evolve over time. In general, it is a good idea that models are frequently retrained with recent data. But if this is the case, to what extent can we trust previous evaluations? How will a model perform when a different pattern (re)emerges? In this paper we propose a methodology to study how recommendation models behave when they are retrained. The idea is to profile algorithms according to their ability to, on the one hand, retain past patterns - stability - and, on the other hand, (quickly) adapt to changes - plasticity. We devise an offline evaluation protocol that provides detail on the long-term behavior of models, and that is agnostic to datasets, algorithms and metrics. To illustrate the potential of this framework, we present preliminary results of three different types of algorithms on the GoodReads dataset that suggest different stability and plasticity profiles depending on the algorithmic technique, and a possible trade-off between stability and plasticity. We further discuss the potential and limitations of the proposal and advance some possible improvements.
Authors: Juan-Pablo Ortega, Florian Rossmannek
Abstract: This work advances the theoretical foundations of reservoir computing (RC) by providing a unified treatment of fading memory and the echo state property (ESP) in both deterministic and stochastic settings. We investigate state-space systems, a central model class in time series learning, and establish that fading memory and solution stability hold generically -- even in the absence of the ESP -- offering a robust explanation for the empirical success of RC models without strict contractivity conditions. In the stochastic case, we critically assess stochastic echo states, proposing a novel distributional perspective rooted in attractor dynamics on the space of probability distributions, which leads to a rich and coherent theory. Our results extend and generalize previous work on non-autonomous dynamical systems, offering new insights into causality, stability, and memory in RC models. This lays the groundwork for reliable generative modeling of temporal data in both deterministic and stochastic regimes.
Authors: Marius Miron, David Robinson, Milad Alizadeh, Ellen Gilsenan-McMahon, Gagan Narula, Emmanuel Chemla, Maddie Cusimano, Felix Effenberger, Masato Hagiwara, Benjamin Hoffman, Sara Keen, Diane Kim, Jane Lawton, Jen-Yu Liu, Aza Raskin, Olivier Pietquin, Matthieu Geist
Abstract: Bioacoustics, the study of sounds produced by living organisms, plays a vital role in conservation, biodiversity monitoring, and behavioral studies. Many tasks in this field, such as species, individual, and behavior classification and detection, are well-suited to machine learning. However, they often suffer from limited annotated data, highlighting the need for a general-purpose bioacoustic encoder capable of extracting useful representations for diverse downstream tasks. Such encoders have been proposed before, but are often limited in scope due to a focus on a narrow range of species (typically birds), and a reliance on a single model architecture or training paradigm. Moreover, they are usually evaluated on a small set of tasks and datasets. In this work, we present a large-scale empirical study that covers aspects of bioacoustics that are relevant to research but have previously been scarcely considered: training data diversity and scale, model architectures and training recipes, and the breadth of evaluation tasks and datasets. We obtain encoders that are state-of-the-art on the existing and proposed benchmarks. We also identify what matters for training these encoders, such that this work can be extended when more data are available or better architectures are proposed. Specifically, across 26 datasets with tasks including species classification, detection, individual ID, and vocal repertoire discovery, we find self-supervised pre-training followed by supervised post-training on a mixed bioacoustics + general-audio corpus yields the strongest in- and out-of-distribution performance. We show the importance of data diversity in both stages. To support ongoing research and application, we will release the model checkpoints.
Authors: Yixiao Wang, Mingxiao Huo, Zhixuan Liang, Yushi Du, Lingfeng Sun, Haotian Lin, Jinghuan Shang, Chensheng Peng, Mohit Bansal, Mingyu Ding, Masayoshi Tomizuka
Abstract: Pretrained vision foundation models (VFMs) advance robotic learning via rich visual representations, yet individual VFMs typically excel only in specific domains, limiting generality across tasks. Distilling multiple VFMs into a unified representation for policy can mitigate this limitation but often yields inflexible task-specific feature selection and requires costly full re-training to incorporate robot-domain knowledge. We propose VER, a Vision Expert transformer for Robot learning. During pretraining, VER distills multiple VFMs into a vision expert library. It then fine-tunes only a lightweight routing network (fewer than 0.4% of parameters) to dynamically select task-relevant experts from the pretrained library for downstream robot tasks. We further introduce Patchwise Expert Routing with Curriculum Top-K Annealing to improve both flexibility and precision of dynamic expert selection. Moreover, VER supports parameter-efficient finetuning for scalable expert utilization and adaptive robot-domain knowledge integration. Across 17 diverse robotic tasks and multiple policy heads, VER achieves state-of-the-art performance. We find that VER reduces large-norm outliers in task-irrelevant regions (e.g., background) and concentrates on task-critical regions. Visualizations and codes can be found in https://yixiaowang7.github.io/ver_page/.
Authors: Manish Nagaraj, Sakshi Choudhary, Utkarsh Saxena, Deepak Ravikumar, Kaushik Roy
Abstract: Instruction tuning is essential for aligning large language models (LLMs) to downstream tasks and commonly relies on large, diverse corpora. However, small, high-quality subsets, known as coresets, can deliver comparable or superior results, though curating them remains challenging. Existing methods often rely on coarse, sample-level signals like gradients, an approach that is computationally expensive and overlooks fine-grained features. To address this, we introduce TRIM (Token Relevance via Interpretable Multi-layer Attention), a forward-only, token-centric framework. Instead of using gradients, TRIM operates by matching underlying representational patterns identified via attention-based "fingerprints" from a handful of target samples. Such an approach makes TRIM highly efficient and uniquely sensitive to the structural features that define a task. Coresets selected by our method consistently outperform state-of-the-art baselines by up to 9% on downstream tasks and even surpass the performance of full-data fine-tuning in some settings. By avoiding expensive backward passes, TRIM achieves this at a fraction of the computational cost. These findings establish TRIM as a scalable and efficient alternative for building high-quality instruction-tuning datasets.
Authors: Francesco Montagna
Abstract: Causal discovery from i.i.d. observational data is known to be generally ill-posed. We demonstrate that if we have access to the distribution {induced} by a structural causal model, and additional data from (in the best case) \textit{only two} environments that sufficiently differ in the noise statistics, the unique causal graph is identifiable. Notably, this is the first result in the literature that guarantees the entire causal graph recovery with a constant number of environments and arbitrary nonlinear mechanisms. Our only constraint is the Gaussianity of the noise terms; however, we propose potential ways to relax this requirement. Of interest on its own, we expand on the well-known duality between independent component analysis (ICA) and causal discovery; recent advancements have shown that nonlinear ICA can be solved from multiple environments, at least as many as the number of sources: we show that the same can be achieved for causal discovery while having access to much less auxiliary information.
Authors: Zelong Bi, Pierre Lafaye de Micheaux
Abstract: Most existing manifold dimension estimators rely on the assumption that the underlying manifold is locally flat within the neighborhoods under consideration. More recently, curvature-adjusted principal component analysis (CA-PCA) has emerged as a powerful alternative by explicitly accounting for the manifold's curvature. Motivated by these ideas, we propose a manifold dimension estimation framework that captures the local graph structure of the manifold through regression on local PCA coordinates. Within this framework, we introduce two representative estimators: quadratic embedding (QE) and total least squares (TLS). Experiments on both synthetic and real-world datasets demonstrate that these methods perform competitively with, and often outperform, state-of-the-art approaches.
Authors: Rafael Oliveira, Daniel M. Steinberg, Edwin V. Bonilla
Abstract: We present a general strategy for turning generative models into candidate solution samplers for batch Bayesian optimization (BO). The use of generative models for BO enables large batch scaling as generative sampling, optimization of non-continuous design spaces, and high-dimensional and combinatorial design. Inspired by the success of direct preference optimization (DPO), we show that one can train a generative model with noisy, simple utility values directly computed from observations to then form proposal distributions whose densities are proportional to the expected utility, i.e., BO's acquisition function values. Furthermore, this approach is generalizable beyond preference-based feedback to general types of reward signals and loss functions. This perspective avoids the construction of surrogate (regression or classification) models, common in previous methods that have used generative models for black-box optimization. Theoretically, we show that the generative models within the BO process follow a sequence of distributions which asymptotically approximate an optimal target under certain conditions. We also evaluate the performance through experiments on challenging optimization problems involving large batches in high dimensions.
Authors: Shubhayan Pan, Kushal Bose, Debolina Paul, Saptarshi Chakraborty, Swagatam Das
Abstract: Convex clustering is a well-regarded clustering method, resembling the similar centroid-based approach of Lloyd's $k$-means, without requiring a predefined cluster count. It starts with each data point as its centroid and iteratively merges them. Despite its advantages, this method can fail when dealing with data exhibiting linearly non-separable or non-convex structures. To mitigate the limitations, we propose a kernelized extension of the convex clustering method. This approach projects the data points into a Reproducing Kernel Hilbert Space (RKHS) using a feature map, enabling convex clustering in this transformed space. This kernelization not only allows for better handling of complex data distributions but also produces an embedding in a finite-dimensional vector space. We provide a comprehensive theoretical underpinning for our kernelized approach, proving algorithmic convergence and establishing finite sample bounds for our estimates. The effectiveness of our method is demonstrated through extensive experiments on both synthetic and real-world datasets, showing superior performance compared to state-of-the-art clustering techniques. This work marks a significant advancement in the field, offering an effective solution for clustering in non-linear and non-convex data scenarios.
Authors: Benjamin C. Koenig, Sili Deng
Abstract: Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard CRNNs cannot represent pressure-dependent or mixture-based rate behavior, which is critical in many combustion and chemical systems and typically requires empirical falloff formulations such as Troe or SRI, or data-based interpolation or polynomial fits such as PLOG or Chebyshev Polynomials. Here, we develop Kolmogorov-Arnold Chemical Reaction Neural Networks (KA-CRNNs) that generalize CRNNs by modeling each kinetic parameter as a learnable function of third-body concentrations using Kolmogorov-Arnold activations. This structure maintains the Arrhenius and mass action interpretability and physical constraints of a vanilla CRNN while enabling assumption-free inference of global and collider-specific pressure effects directly from data. Two proof-of-concept reaction studies are presented to highlight the capability of KA-CRNNs to accurately reproduce pressure-dependent and collider-specific kinetics across a range of temperatures, pressures, and bath gas mixtures, extracting meaningful and generalizable models from sparse training data and significantly outperforming interpolative approaches (2.88x reduction in MSE). The framework establishes a foundation for data-driven discovery of extended kinetic behaviors in complex reacting systems, advancing interpretable and physics-constrained approaches for chemical model inference.
Authors: Mingyu Zhang, Lifeng Zhuo, Tianxi Tan, Guocan Xie, Xian Nie, Yan Li, Renjie Zhao, Zizhu He, Ziyu Wang, Jiting Cai, Yong-Lu Li
Abstract: Humans learn by observing, interacting with environments, and internalizing physics and causality. Here, we aim to ask whether an agent can similarly acquire human-like reasoning from interaction and keep improving with more experience. To study this, we introduce a Game-to-Unseen (G2U) benchmark of 1,000+ heterogeneous games that exhibit significant visual domain gaps. Existing approaches, including VLMs and world models, struggle to capture underlying physics and causality since they are not focused on core mechanisms and overfit to visual details. VLM/VLA agents reason but lack look-ahead in interactive settings, while world models imagine but imitate visual patterns rather than analyze physics and causality. We therefore propose IPR (Interactive Physical Reasoner), using world-model rollouts to score and reinforce a VLM's policy, and introduce PhysCode, a physics-centric action code aligning semantic intent with dynamics to provide a shared action space for prediction and reasoning. Pretrained on 1,000+ games, our IPR performs robustly on levels from primitive intuition to goal-driven reasoning, and even surpasses GPT-5 overall. We find that performance improves with more training games and interaction steps, and that the model also zero-shot transfers to unseen games. These results support physics-centric interaction as a path to steadily improving physical reasoning. Further demos and project details can be found at https://mybearyzhang.github.io/ipr-1.
Authors: Kaixiang Yang, Jiarong Liu, Yupeng Song, Shuanghua Yang, Yujue Zhou
Abstract: Time series anomaly detection is widely used in IoT and cyber-physical systems, yet its evaluation remains challenging due to diverse application objectives and heterogeneous metric assumptions. This study introduces a problem-oriented framework that reinterprets existing metrics based on the specific evaluation challenges they are designed to address, rather than their mathematical forms or output structures. We categorize over twenty commonly used metrics into six dimensions: 1) basic accuracy-driven evaluation; 2) timeliness-aware reward mechanisms; 3) tolerance to labeling imprecision; 4) penalties reflecting human-audit cost; 5) robustness against random or inflated scores; and 6) parameter-free comparability for cross-dataset benchmarking. Comprehensive experiments are conducted to examine metric behavior under genuine, random, and oracle detection scenarios. By comparing their resulting score distributions, we quantify each metric's discriminative ability -- its capability to distinguish meaningful detections from random noise. The results show that while most event-level metrics exhibit strong separability, several widely used metrics (e.g., NAB, Point-Adjust) demonstrate limited resistance to random-score inflation. These findings reveal that metric suitability must be inherently task-dependent and aligned with the operational objectives of IoT applications. The proposed framework offers a unified analytical perspective for understanding existing metrics and provides practical guidance for selecting or developing more context-aware, robust, and fair evaluation methodologies for time series anomaly detection.
Authors: Qifeng Hu, Inanc Senocak
Abstract: Physics-informed neural networks (PINNs) have shown promise for solving partial differential equations, yet their success in simulating incompressible flows at high Reynolds numbers remains limited. Existing approaches rely on auxiliary labeled data, supervised pretraining, or reference solutions, and no purely unsupervised method comparable to conventional finite-difference or finite-volume solvers has been demonstrated. We attribute this gap to the absence of a mechanism for enforcing the divergence-free constraint and boundary conditions to strict tolerances. To address this, we adopt the physics- and equality-constrained artificial neural network (PECANN) framework with a conditionally adaptive augmented Lagrangian method (CA-ALM), and introduce a pressure-Poisson-based objective. The residual of the pressure Poisson equation is minimized subject to the momentum and continuity equations and boundary conditions on the primitive variables as equality constraints, with CA-ALM enforcing all constraints tightly. For advection-dominated, high-Reynolds-number flows, we further propose an adaptive vanishing entropy viscosity that stabilizes early training without influencing the converged solution. A baseline that instead uses the momentum residual as the objective proves ineffective under the same machinery, underscoring the critical role of the pressure-Poisson objective. The method is assessed on lid-driven cavity flow up to $Re=7{,}500$, three-dimensional unsteady Beltrami flow, and steady and unsteady flow past a circular cylinder with general inflow-outflow boundary conditions, including an ablation study identifying admissible outlet conditions -- all without labeled data or supervised pretraining. Notably, it captures the spontaneous onset of periodic vortex shedding in unsteady cylinder flow without external perturbations, starting from a randomly initialized network.
Authors: Sreejith Sreekumar, Ziv Goldfeld, Mark M. Wilde
Abstract: Estimating quantum entropies and divergences is an important problem in quantum physics, information theory, and machine learning. Quantum neural estimators (QNEs), which utilize a hybrid classical-quantum architecture, have recently emerged as an appealing computational framework for estimating these measures. Such estimators combine classical neural networks with parametrized quantum circuits, and their deployment typically entails tedious tuning of hyperparameters controlling the sample size, network architecture, and circuit topology. This work initiates the study of formal guarantees for QNEs of measured (R\'enyi) relative entropies in the form of non-asymptotic error risk bounds. We further establish exponential tail bounds showing that the error is sub-Gaussian and thus sharply concentrates about the ground truth value. For an appropriate sub-class of density operator pairs on a space of dimension $d$ with bounded Thompson metric, our theory establishes a copy complexity of $O(|\Theta(\mathcal{U})|d/\epsilon^2)$ for QNE with a quantum circuit parameter set $\Theta(\mathcal{U})$, which has minimax optimal dependence on the accuracy $\epsilon$. Additionally, if the density operator pairs are permutation invariant, we improve the dimension dependence above to $O(|\Theta(\mathcal{U})|\mathrm{polylog}(d)/\epsilon^2)$. Our theory aims to facilitate principled implementation of QNEs for measured relative entropies and guide hyperparameter tuning in practice.
Authors: Jaime Garcia-Martinez, David Diaz-Guerra, John Anderson, Ricardo Falcon-Perez, Pablo Caba\~nas-Molero, Tuomas Virtanen, Julio J. Carabias-Orti, Pedro Vera-Candeas
Abstract: This paper introduces The Spheres dataset, multitrack orchestral recordings designed to advance machine learning research in music source separation and related MIR tasks within the classical music domain. The dataset is composed of over one hour recordings of musical pieces performed by the Colibr\`i Ensemble at The Spheres recording studio, capturing two canonical works - Tchaikovsky's Romeo and Juliet and Mozart's Symphony No. 40 - along with chromatic scales and solo excerpts for each instrument. The recording setup employed 23 microphones, including close spot, main, and ambient microphones, enabling the creation of realistic stereo mixes with controlled bleeding and providing isolated stems for supervised training of source separation models. In addition, room impulse responses were estimated for each instrument position, offering valuable acoustic characterization of the recording space. We present the dataset structure, acoustic analysis, and baseline evaluations using X-UMX based models for orchestral family separation and microphone debleeding. Results highlight both the potential and the challenges of source separation in complex orchestral scenarios, underscoring the dataset's value for benchmarking and for exploring new approaches to separation, localization, dereverberation, and immersive rendering of classical music.
Authors: Kohei Yamamoto, Kosuke Okusa
Abstract: Transformer-based audio self-supervised learning (SSL) models commonly use spectrograms, vision-style Transformers, and masked modeling objectives. However, convolutional patchification with temporal downsampling lowers the effective Nyquist frequency and introduces aliasing, while na\"ive low-pass filtering may remove task-relevant high-frequency cues. We present AaSP, an aliasing-aware self-supervised pre-training framework for audio spectrogram transformers. AaSP combines an aliasing-aware patch representation, teacher-student masked modeling, a cross-attention predictor, and multi-mask contrastive regularization to learn representations that integrate features from alias-prone modulation bands while remaining stable across masked views. Its patch-embedding module, Aliasing-aware Patch Embedding (AaPE), augments standard patch tokens with features from alias-prone modulation bands using a band-limited complex sinusoidal kernel with a two-sided exponential window. The kernel's frequency and decay parameters are estimated from the input, enabling adaptive subband analysis whose outputs are fused with standard patch tokens. We pre-train on AudioSet and evaluate the learned representations by fine-tuning and linear evaluation on acoustic/environmental, speech, and music recognition benchmarks. Under fine-tuning, the full AaSP framework achieves state-of-the-art results on AS-20K, ESC-50, and NSynth among compared self-supervised baselines, while remaining competitive elsewhere. Linear evaluation shows a similar trend, including gains on US8K and NSynth. Overall, AaSP learns representations that are more stable under aliasing-sensitive temporal perturbations and competitive for downstream transfer.
Authors: Shweta Mahajan, Shreya Kadambi, Hoang Le, Rajeev Yasarla, Apratim Bhattacharyya, Munawar Hayat, Fatih Porikli
Abstract: We introduce the Do-Undo task and benchmark to address a critical gap in vision-language models: understanding and generating plausible scene transformations driven by real-world actions. Unlike prior work that relies on prompt-based image generation and editing to perform action-conditioned image manipulation, our training hypothesis requires models to simulate the outcome of a real-world action and then reverse it to the original state. This forward-reverse requirement tests genuine cause-and-effect understanding rather than stylistic or semantic edits. We curate a high-quality benchmark of reversible actions from real-world scenarios to enable robust action grounding. Our experiments reveal that current models struggle with action reversibility, highlighting the need to evaluate action understanding. Do-Undo provides an intuitive testbed for evaluating and advancing action-aware generation in multimodal systems that must reason about real-world dynamics.
Authors: Soon Hoe Lim
Abstract: Flow matching (FM) constructs continuous-time ODE samplers by prescribing probability paths between a base distribution and a target distribution. In this note, we study FM through the lens of finite-sample plug-in estimation. In addition to replacing population expectations by sample averages, one may replace the target distribution itself by a finite-sample surrogate, ranging from the empirical measure to a smoothed estimator. This viewpoint yields a natural hierarchy of empirical FM models. For affine conditional flows, we derive the exact empirical minimizer and identify a smoothed plug-in regime in which the terminal law is exactly a kernel-mixture estimator. This plug-in perspective clarifies several coupled finite-sample biases of empirical FM. First, replacing the target law by a finite-sample surrogate changes the statistical target. Second, the empirical minimizer is generally not a gradient field, even when each conditional flow is. Third, a fixed empirical marginal path does not determine a unique particle dynamics: one may add extra vector fields whose probability flux has zero divergence without changing the marginal path. For Gaussian affine conditional paths, we give explicit families of such flux-null corrections. Finally, the source distribution provides a primary mechanism controlling upper tails of kinetic energy. In particular, Gaussian bases yield exponential upper-tail bounds for instantaneous and integrated kinetic energies, whereas polynomially tailed bases yield corresponding polynomial upper-tail bounds.
Authors: Yitian Chen, Cheng Cheng, Yinan Sun, Zi Ling, Dongdong Ge
Abstract: We investigate the capabilities and scalability of Large Language Models (LLMs) in optimization modeling, a domain requiring structured reasoning and precise formulation. To this end, we introduce OPT-ENGINE, an extensible benchmark framework with quantifiable and controllable complexity. OPT-ENGINE spans ten canonical Operations Research problems, systematically scaling from Linear Programming to Mixed-Integer Programming, providing a structured environment to probe the limits of automated problem formulation and solving. Utilizing OPT-Engine, we address three pivotal research questions. First, we examine whether Pure-Text Reasoning (PTR) via classical Chain-of-Thought can efficiently tackle optimization tasks, finding that PTR suffers from a critical robustness gap as task complexity increases. Second, we examine whether integrating external computational tools can mitigate PTR's arithmetic weaknesses and improve performance. Our results indicate that while such tools help with local calculations, they still fail to adhere to global optimization constraints. Finally, we pinpoint that for the current SOTA paradigm, Solver-integrated Reasoning (SIR), the automated formulation of constraints represents the primary bottleneck. These findings clarify the limitations of current paradigms and provide a structured roadmap for developing next-generation LLMs for optimization modeling. We release our code and data to facilitate future research (https://github.com/Cardinal-Operations/OPTEngine).
Authors: Mingda Zhang, Wenjin Liu, Tiesunlong Shen, Qika Lin, Rui Mao, Erik Cambria, Xiaoying Tang, Haoran Luo
Abstract: In recent years, agentic workflows have been widely applied to solve complex human tasks. However, existing workflow construction still faces key challenges, including human-dependent workflow construction, the lack of graph-level execution feedback, and the inability to repair errors in-loop during long-horizon construction. To address these challenges, we propose FlowSteer, a new paradigm of Agent Designing Agentic Workflows - a single agent itself end-to-end designs the workflow that a downstream executor runs. To support this paradigm, we introduce the Workflow Canvas, a novel executable graph-state environment that returns syntax-checked execution feedback for every atomic edit. Built on the canvas, we further propose Reinforced Progressive Canvas Editing, in which a lightweight policy agent issues one atomic edit per turn conditioned on real canvas feedback, and is trained end-to-end via reinforcement learning. Moreover, FlowSteer provides a plug-and-play framework that supports diverse operator libraries and interchangeable LLM backends. Experimental results on twelve datasets show that FlowSteer significantly outperforms baselines across various tasks. Our code is available at https://anonymous.4open.science/r/FlowSteer-9B2E.
Authors: Xi Wang, Anushri Suresh, Alvin Zhang, Rishi More, William Jurayj, Benjamin Van Durme, Mehrdad Farajtabar, Daniel Khashabi, Eric Nalisnick
Abstract: Reasoning Large Language Models (LLMs) enable test-time scaling, with dataset-level accuracy improving as the token budget increases, motivating adaptive reasoning -- spending tokens when they improve reliability and stopping early when additional computation is unlikely to help. However, setting the token budget, as well as the threshold for adaptive reasoning, is a practical challenge that entails a fundamental risk-accuracy trade-off. We re-frame the budget setting problem as risk control, limiting the error rate while minimizing compute. Our framework introduces an upper threshold that stops reasoning when the model is confident (risking incorrect output) and a novel parametric lower threshold that preemptively stops unsolvable instances (risking premature stoppage). Given a target risk and a validation set, we use distribution-free risk control to optimally specify these stopping mechanisms. For scenarios with multiple budget controlling criteria, we incorporate an efficiency loss to select the most computationally efficient exiting mechanism. Empirical results across diverse reasoning tasks and models demonstrate the effectiveness of our risk control approach, demonstrating computational efficiency gains from the lower threshold and ensemble stopping mechanisms while adhering to the user-specified risk target.
Authors: Lin Zheng, Xinyu Li, Qian Liu, Xiachong Feng, Lingpeng Kong
Abstract: Modern language models are trained almost exclusively on token sequences produced by a fixed tokenizer, an external lossless compressor often over UTF-8 byte sequences, thereby coupling the model to that compressor. This work introduces proxy compression, an alternative training scheme that preserves the efficiency benefits of compressed inputs while providing an end-to-end, raw-byte interface at inference time. During training, a single language model is jointly trained on raw byte sequences and compressed views generated by external compressors; through the process, the model learns to internally align compressed sequences and raw bytes. This alignment enables strong transfer between the two formats, even when training predominantly on compressed inputs that are discarded at inference. Extensive experiments on code language modeling demonstrate that proxy compression substantially improves training efficiency and significantly outperforms pure byte-level baselines given fixed compute budgets. As model scale increases, these gains become more pronounced, and proxy-trained models eventually match or surpass tokenizer approaches, all while operating solely on raw bytes and retaining the inherent robustness of byte-level modeling. Our code is available at https://github.com/LZhengisme/proxy-compression.
Authors: Arash Gholami Davoodi, Navid Rezazadeh, Seyed Pouyan Mousavi Davoudi, Pouya Pezeshkpour
Abstract: Large language models (LLMs) must balance diversity and creativity against logical coherence in open-ended generation. Existing truncation-based samplers are effective but largely heuristic, relying mainly on probability mass and entropy while ignoring semantic geometry of the token space. We present Top-W, a geometry-aware truncation rule that uses Wasserstein distance-defined over token-embedding geometry-to keep the cropped distribution close to the original, while explicitly balancing retained probability mass against the entropy of the kept set. Our theory yields a simple closed-form structure for the fixed-potential subset update: depending on the mass-entropy trade-off, the optimal crop either collapses to a single token or takes the form of a one-dimensional prefix that can be found efficiently with a linear scan. We implement Top-W using efficient geometry-based potentials (nearest-set or k-NN) and pair it with an alternating decoding routine that keeps the standard truncation-and-sampling interface unchanged. Extensive experiments on four benchmarks (GSM8K, GPQA, AlpacaEval, and MT-Bench) across three instruction-tuned models show that Top-W consistently outperforms prior state-of-the-art decoding approaches achieving up to 33.7% improvement. Moreover, we find that Top-W not only improves accuracy-focused performance, but also boosts creativity under judge-based open-ended evaluation.
Authors: Tom Kempton, Julia Rozanova, Parameswaran Kamalaruban, Maeve Madigan, Karolina Wresilo, Yoann L. Launay, David Sutton, Stuart Burrell
Abstract: Large Language Models (LLMs) are a powerful tool for statistical text analysis, with derived sequences of next-token probability distributions offering a wealth of information. Extracting this signal typically relies on metrics such as perplexity, which do not adequately account for context; how one should interpret a given next-token probability is dependent on the number of reasonable choices encoded by the shape of the conditional distribution. In this work, we present DMAP, a mathematically grounded method that maps a text, via a language model, to a set of samples in the unit interval that jointly encode rank and probability information. This representation enables efficient, model-agnostic analysis and supports a range of applications. We illustrate its utility through three case studies: (i) validation of generation parameters to ensure data integrity, (ii) examining the role of probability curvature in machine-generated text detection, and (iii) a forensic analysis revealing statistical fingerprints left in downstream models that have been subject to post-training on synthetic data. Our results demonstrate that DMAP offers a unified statistical view of text that is simple to compute on consumer hardware, widely applicable, and provides a foundation for further research into text analysis with LLMs.
Authors: Ana Dodik, Ahmed H. Mahmoud, Justin Solomon
Abstract: We propose a system for differentiating through solutions to geometry processing problems. Our system differentiates a broad class of geometric algorithms, exploiting existing fast problem-specific schemes common to geometry processing, including local-global and ADMM solvers. It is compatible with machine learning frameworks, opening doors to new classes of inverse geometry processing applications. We marry the scatter-gather approach to mesh processing with tensor-based workflows and rely on the adjoint method applied to user-specified imperative code to generate an efficient backward pass behind the scenes. We demonstrate our approach by differentiating through mean curvature flow, spectral conformal parameterization, geodesic distance computation, and as-rigid-as-possible deformation, examining usability and performance on these applications. Our system allows practitioners to differentiate through existing geometry processing algorithms without needing to reformulate them, resulting in low implementation effort, fast runtimes, and lower memory requirements than differentiable optimization tools not tailored to geometry processing.
Authors: Yasaman Torabi, Parsa Razmara, Hamed Ajorlou, Bardia Baraeinejad
Abstract: Large Language Models (LLMs) have demonstrated strong semantic reasoning across multimodal domains. However, their integration with graph-based models of brain connectivity remains limited. In addition, most existing fMRI analysis methods rely on static Functional Connectivity (FC) representations, which obscure transient neural dynamics critical for neurodevelopmental disorders such as autism. Recent state-space approaches, including Mamba, model temporal structure efficiently, but are typically used as standalone feature extractors without explicit high-level reasoning. We propose NeuroMambaLLM, an end-to-end framework that integrates dynamic latent graph learning and selective state-space temporal modelling with LLMs. The proposed method learns the functional connectivity dynamically from raw Blood-Oxygen-Level-Dependent (BOLD) time series, replacing fixed correlation graphs with adaptive latent connectivity while suppressing motion-related artifacts and capturing long-range temporal dependencies. The resulting dynamic brain representations are projected into the embedding space of an LLM model, where the base language model remains frozen and lightweight low-rank adaptation (LoRA) modules are trained for parameter-efficient alignment. This design enables the LLM to perform both diagnostic classification and language-based reasoning, allowing it to analyze dynamic fMRI patterns and generate clinically meaningful textual reports.
Authors: Mehrshad Taji, Arad Mahdinezhad Kashani, Iman Ahmadi, AmirHossein Jadidi, Saina Kashani, Babak Khalaj
Abstract: Task planning for robotic manipulation with large language models (LLMs) is an emerging area. Prior approaches rely on specialized models, fine tuning, or prompt tuning, and often operate in an open loop manner without robust environmental feedback, making them fragile in dynamic settings. MALLVI presents a Multi Agent Large Language and Vision framework that enables closed-loop feedback driven robotic manipulation. Given a natural language instruction and an image of the environment, MALLVI generates executable atomic actions for a robot manipulator. After action execution, a Vision Language Model (VLM) evaluates environmental feedback and decides whether to repeat the process or proceed to the next step. Rather than using a single model, MALLVI coordinates specialized agents, Decomposer, Localizer, Thinker, and Reflector, to manage perception, localization, reasoning, and high level planning. An optional Descriptor agent provides visual memory of the initial state. The Reflector supports targeted error detection and recovery by reactivating only relevant agents, avoiding full replanning. Experiments in simulation and real-world settings show that iterative closed loop multi agent coordination improves generalization and increases success rates in zero shot manipulation tasks. Code available at https://github.com/iman1234ahmadi/MALLVI .
Authors: Tiziano Fassina, Gabriel Cardoso, Sylvan Le Corff, Thomas Romary
Abstract: Score-based generative models (SGMs) have achieved remarkable empirical success, motivating their application to a broad range of data distributions. However, extending them to heavy-tailed targets remains a largely open problem. Although dedicated models for heavy-tailed distributions have been proposed, their generative fidelity remains unclear and they lack solid theoretical foundations, leaving important questions open in this regime. In this paper, we address this gap through two theoretical contributions. First, we show that combining early stopping with a suitable initialization is sufficient to extend the diffusion framework to any target distribution; in particular, we establish the well-posedness of the backward process and prove convergence of the approximated diffusion in KL divergence. Second, we derive novel theoretical guarantees for generation with normalizing flows, obtaining convergence results that hold under mild conditions on the flow family and without any assumption on the tail behavior of the target distribution. Building on these results, we propose a unified generative framework for heavy-tailed distributions: a normalizing flow is first trained to capture the tail behavior and is then used as an initialization prior for an SGM, which refines the samples by recovering fine-grained structural details. This design leverages the complementary strengths of the two model classes within a theoretically principled pipeline, overcoming the limitations of existing approaches.
Authors: Anthony Liang, Yigit Korkmaz, Jiahui Zhang, Minyoung Hwang, Abrar Anwar, Sidhant Kaushik, Aditya Shah, Alex S. Huang, Luke Zettlemoyer, Dieter Fox, Yu Xiang, Anqi Li, Andreea Bobu, Abhishek Gupta, Stephen Tu, Erdem Biyik, Jesse Zhang
Abstract: General-purpose robot reward models are typically trained to predict absolute task progress from expert demonstrations, providing only local, frame-level supervision. While effective for expert demonstrations, this paradigm scales poorly to large-scale robotics datasets where failed and suboptimal trajectories are abundant and assigning dense progress labels is ambiguous. We introduce Robometer, a scalable reward modeling framework that combines intra-trajectory progress supervision with inter-trajectory preference supervision. Robometer is trained with a dual objective: a frame-level progress loss that anchors reward magnitude on expert data, and a trajectory-comparison preference loss that imposes global ordering constraints across trajectories of the same task, enabling effective learning from both real and augmented failed trajectories. To support this formulation at scale, we curate RBM-1M, a reward-learning dataset comprising over one million trajectories spanning diverse robot embodiments and tasks, including substantial suboptimal and failure data. Across benchmarks and real-world evaluations, Robometer learns more generalizable reward functions than prior methods and improves robot learning performance across a diverse set of downstream applications. Code, model weights, and videos at https://robometer.github.io/.
Authors: Yan-Bo Lin, Jonah Casebeer, Long Mai, Aniruddha Mahapatra, Gedas Bertasius, Nicholas J. Bryan
Abstract: Generating music that temporally aligns with video events is challenging for existing text-to-music models, which lack fine-grained temporal control. We introduce V2M-ZERO, a video-to-music generation approach that generates time-aligned music with disentangled time synchronization and semantic control (e.g., genre, mood) from video while requiring zero video-music pairs at training time. Our method is motivated by a key observation: temporal synchronization requires matching when and how much change occurs, not what changes. While musical and visual events differ semantically, they exhibit shared temporal structure that can be captured independently within each modality. We capture this structure through event curves computed from intra-modal similarity using pretrained music and video encoders. By measuring temporal change within each modality independently, these curves provide comparable representations across modalities. This enables a simple training strategy: fine-tune a text-to-music model on music-event curves, then substitute video-event curves at inference without cross-modal training or paired data. Across OES-Pub, MovieGenBench-Music, and AIST++, V2M-ZERO achieves state-of-the-art performance without any paired music-video data, surpassing the strongest prior baselines per metric with 5-9% higher audio quality, 13-15% better semantic alignment, 21-52% improved temporal synchronization, and 28% higher beat alignment on dance videos. We find similar results via a large crowd-source subjective listening test. Our results validate that temporal alignment through within-modality features is not only effective for video-to-music generation but also leads to better performance than paired cross-modal supervision. Furthermore, our approach enables independent controls for timing and music style (e.g., genre, mood) for more controllable generation.
Authors: Xinyi Hu, Yuhao Shen, Baolin Zhang, Hengxin Zhang, Jun Dai, Shuang Ge, Lei Chen, Yue Li, Mingcheng Wan
Abstract: Speculative Decoding promises to accelerate the inference of Large Language Models, yet its efficacy often degrades in production-grade serving. Existing evaluations typically overlook the compute-bound nature of high-concurrency regimes, where verification compute becomes the dominant bottleneck. Consequently, prior methods face a dilemma: static trees incur massive verification waste, while dynamic trees suffer from cumulative misjudgments and kernel incompatibility. To bridge this gap, we introduce ECHO, a high concurrency-oriented framework integrated into SGLang that reformulates speculative execution as a budgeted scheduling problem. Crucially, ECHO employs sparse confidence gating to manage the batch as a unified super-tree, elastically pivoting budget between depth and width to co-optimize the trade-off between reducing global verification steps and maximizing per-step efficiency. Extensive evaluations across diverse model scales-particularly the industrial-grade Qwen3-235B-demonstrate that ECHO consistently outperforms SOTA methods in both low-load and high-load scenarios, achieving up to 5.35x walltime speedup and delivering over 20% relative speedup gain.
Authors: Andrew Gracyk
Abstract: We develop interconnections between the complex normalizing flow for data drawn from Borel probability measures on the twofold realification of the complex manifold and a nonlinear flow nearly K\"ahler-Ricci. The complex normalizing flow relates the initial and target realified densities under the complex change of variables, necessitating the log determinant of the ensemble of Wirtinger Jacobians. The Ricci curvature of a K\"ahler manifold is the second order mixed Wirtinger partial derivative of the log of the local density of the volume form. Therefore, we reconcile these two facts by drawing forth the connection that the log determinant used in the complex normalizing flow matches a Ricci curvature term under differentiation and conditions. The log density under the normalizing flow is kindred to a spatial Fisher information metric under an augmented Jacobian and a Bayesian perspective to the parameter, thus under the continuum limit the log likelihood matches a Fisher metric, recovering a K\"ahler-Ricci flow variation up to a time derivative and expectation, or an average-valued K\"ahler-Einstein flow. Using this framework, we establish other relevant results, attempting to bridge the statistical and ordinary behaviors of the complex normalizing flow to the geometric features of our derived K\"ahler flow.
Authors: Fei Bai, Huatong Song, Shuang Sun, Daixuan Cheng, Yike Yang, Chuan Hao, Renyuan Li, Feng Chang, Yuan Wei, Ran Tao, Bryan Dai, Jian Yang, Wayne Xin Zhao, Ji-Rong Wen
Abstract: Claw-style environments support multi-step workflows over local files, tools, and persistent workspace states. However, scalable development around these environments remains constrained by the absence of a systematic framework, especially one for synthesizing verifiable training data and integrating it with agent training and diagnostic evaluation. To address this challenge, we present ClawGym, a scalable framework that supports the full lifecycle of Claw-style personal agent development. Concretely, we construct ClawGym-SynData, a diverse dataset of 13.5K filtered tasks synthesized from persona-driven intents and skill-grounded operations, paired with realistic mock workspaces and hybrid verification mechanisms. We then train a family of capable Claw-style models, termed ClawGym-Agents, through supervised fine-tuning on black-box rollout trajectories, and further explore reinforcement learning via a lightweight pipeline that parallelizes rollouts across per-task sandboxes. To support reliable evaluation, we further construct ClawGym-Bench, a benchmark of 200 instances calibrated through automated filtering and human-LLM review. Relevant resources will be soon released at https://github.com/ClawGym.
Authors: Rahul Kumar
Abstract: As frontier AI models are deployed in high-stakes decision pipelines, their ability to maintain metacognitive stability (knowing what they do not know, detecting errors, seeking clarification) under adversarial pressure is a critical safety requirement. Current safety evaluations focus on detecting strategic deception (scheming); we investigate a more fundamental failure mode: cognitive collapse. We present SCHEMA, an evaluation of 11 frontier models from 8 vendors across 67,221 scored records using a 6-condition factorial design with dual-classifier scoring. We find that 8 of 11 models suffer catastrophic metacognitive degradation under adversarial pressure, with accuracy dropping by up to 30.2 percentage points (all $p < 2 \times 10^{-8}$, surviving Bonferroni correction). Crucially, we identify a "Compliance Trap": through factorial isolation and a benign distraction control, we demonstrate that collapse is driven not by the psychological content of survival threats, but by compliance-forcing instructions that override epistemic boundaries. Removing the compliance suffix restores performance even under active threat. Models with advanced reasoning capabilities exhibit the most severe absolute degradation, while Anthropic's Constitutional AI demonstrates near-perfect immunity. This immunity does not stem from superior capability (Google's Gemini matches its baseline accuracy) but from alignment-specific training. We release the complete dataset and evaluation infrastructure.
Authors: Fuyun Wang, Yuanzhi Wang, Xu Guo, Sujia Huang, Tong Zhang, Dan Wang, Hui Yan, Xin Liu, Zhen Cui
Abstract: Open-set supervised anomaly detection (OSAD) aims to identify unseen anomalies using limited anomalous supervision. However, existing prototype-based methods typically model normal data via a unimodal Gaussian prior, failing to capture inherent multi-modality and resulting in blurred decision boundaries. To address this, we propose Mixture Prototype Flow Matching (MPFM), a framework that learns a continuous transformation from normal feature distributions to a structured Gaussian mixture prototype space. Departing from traditional flow-based approaches that rely on a single velocity vector, MPFM explicitly models the velocity field as a Gaussian mixture prior where each component corresponds to a distinct normal class. This design facilitates mode-aware and semantically coherent distribution transport. Furthermore, we introduce a Mutual Information Maximization Regularizer (MIMR) to prevent prototype collapse and maximize normal-anomaly separability. Extensive experiments demonstrate that MPFM achieves state-of-the-art performance across diverse benchmarks under both single- and multi-anomaly settings.
Authors: Zirui Tang, Xuanhe Zhou, Yumou Liu, Linchun Li, Yukai Wu, Weizheng Wang, Hongzhang Huang, Wei Zhou, Jun Zhou, Jiachen Song, Shaoli Yu, Jinqi Wang, Zihang Zhou, Hongyi Zhou, Yuting Lv, Jinyang Li, Jiashuo Liu, Ruoyu Chen, Chunwei Liu, GuoLiang Li, Jihua Kang, Fan Wu
Abstract: Workspace learning requires AI agents to identify, reason over, exploit, and update explicit and implicit dependencies among heterogeneous files in a worker's workspace, enabling them to complete both routine and advanced tasks effectively. Despite its importance, existing relevant benchmarks largely evaluate agents on pre-specified or synthesized files with limited real-world dependencies, leaving workspace-level evaluation underexplored. To this end, we introduce Workspace-Bench, a benchmark for evaluating AI agents on Workspace Learning involving Large-Scale File Dependencies. We construct realistic workspaces with 5 worker profiles, 74 file types, 20,476 files (up to 20GB) and curate 388 tasks, each with its own file dependency graph, evaluated across 7,399 total rubrics that require cross-file retrieval, contextual reasoning, and adaptive decision-making. We further provide Workspace-Bench-Lite, a 100-task subset that preserves the benchmark distribution while reducing evaluation costs by about 70%. We evaluate 4 popular agent harnesses and 7 foundation models. Experimental results show that current agents remain far from reliable workspace learning, where the best reaches only about 60%, substantially below the human result of 80.7%, and the average performance across agents is only 43.3%.
Authors: Ryoichiro Agata, Tomohisa Okazaki
Abstract: Physics-informed neural networks (PINNs) provide a mesh-free framework for solving PDE-constrained inverse problems, but their extension to Bayesian inversion still faces a fundamental difficulty: prior distributions are typically defined in the weight space of neural networks, whereas physically meaningful prior assumptions are more naturally expressed in function space. In this study, we introduce a unified framework, termed functional-prior-based approaches to Bayesian PDE-constrained inversion using physics-informed neural networks (fpBPINN), to incorporate functional priors into Bayesian PINN-based inversion. We consider two complementary approaches. The first is a functional-prior-informed Bayesian PINN (FPI-BPINN), in which a neural network weight prior is learned to be consistent with a prescribed functional prior, and Bayesian inference is subsequently performed in weight space. The second is function-space particle-based variational inference for PINNs (fParVI-PINN), which performs Bayesian estimation using ParVI directly in function space. We also show that random Fourier features (RFF) play an important role in representing Gaussian functional priors with neural networks and in improving posterior approximation. We applied the proposed approaches to one-dimensional seismic traveltime tomography and two-dimensional Darcy-flow permeability inversion. These numerical experiments showed that both approaches accurately estimated posterior distributions, highlighting the significance of introducing physically interpretable functional priors into Bayesian PINN-based inverse problems. We also identified the contrasting advantages of FPI-BPINN and fParVI-PINN, namely flexibility and accuracy, respectively.
Authors: Md Abu Obaida Zishan, Jannatun Noor, Annajiat Alim Rasel
Abstract: Stable Diffusion (SD) has evolved DDPM (Denoising Diffusion Probabilistic Model) based image generation significantly by denoising in latent space instead of feature space. This popularized DDPM-based image generation as the cost and compute barrier was significantly lowered. However, these models could only generate fixed-resolution images according to their training configuration. When we attempt to generate higher resolutions, the resulting images show object duplication artifacts consistently. To solve this problem without finetuning SD models, recent works have tried dilating the convolution kernels of the models and have achieved a great level of success. But dilated kernels are harder to fine-tune due to being zero-gapped. Apart from this, other methods, such as patched diffusion, could not solve the object-duplication problem efficiently. Hence, to overcome the limitations of dilated convolutions, we propose kernel interpolation of SD models for higher-resolution image generation. In this work, we show mathematically that interpolation can correctly scale convolution kernels if multiplied by a constant coefficient and achieve competitive empirical results in generating beyond-training-resolution images with Stable Diffusion using zero training. Furthermore, we demonstrate that our method enables interpolation of deep neural networks to adapt to higher-dimensional training data, with a worst-case performance drop of $2.6\%$ in accuracy and F1-Score relative to the baseline. This shows the applicability of our method to be general, where we interpolate fully-connected layers, going beyond convolution layers. We also discuss how we can reduce the memory footprints of training neural networks, using our method up to at least $4\times$.
Authors: Jialin Li, Zhuo Zhang, Yue Cao, Guipeng Lan, Jiabao Wen, Shuai Xiao, Jiachen Yang
Abstract: The scarcity of high-quality imaging data for coronary angiography (CAG) stenosis limits the clinical translation of automated stenosis detection. Synthetic stenosis data provides a practical avenue to augment training sets, improving data quality, diversity, and distributional coverage, and enhancing detection precision and generalization. However, diffusion-based editing commonly relies on soft guidance in a noise-initialized reverse process, offering limited pixel-level precision and structure preservation. We propose the OT-Bridge Editor, which reframes localized editing as a constrained entropic optimal transport (OT) problem and leverages geometric information to steer the generation path, enabling stronger geometric control. Extensive experiments show that our synthesized angiograms consistently improve downstream stenosis detection, yielding substantial relative gains of 27.8% on the public ARCADE benchmark and 23.0% on our multi-center dataset, supported by consistent qualitative results.
Authors: Zongmin Yu, Liu Yang
Abstract: We introduce Evolutionary Ensemble (EvE), a decentralized framework that organizes existing, highly capable coding agents into a live, co-evolving system for algorithmic discovery. Rather than reinventing the wheel within the "LLMs as optimizers" paradigm, EvE fixes the base agent substrate and focuses entirely on evolving the cumulative guidance and skills that dictate agent behaviors. By maintaining two co-evolving populations, namely functional code solvers and agent guidance states, the system evaluates agents through a synchronous race, updating their empirical Elo ratings based on the marginal gains they contribute to the current solver state. When applied to a research bottleneck in In-Context Operator Networks (ICON), EvE autonomously discovered a robust rescale-then-interpolate mechanism that enables reliable example-count generalization. Crucially, controlled ablations reveal the absolute necessity of stage-dependent agent adaptation to navigate the shifting search landscapes of complex codebases. Compared to variants driven by a fixed initial agent or even a frozen "best-evolved" agent, EvE uniquely avoids phase mismatch, demonstrating that organizing agents into a self-revising ensemble is the fundamental driver for breaking through static performance ceilings.
Authors: Zahra Asadi, Haeseung Jeon, Sohyun Han, Md Mahmuduzzaman Kamol, Se Eun Oh, Mohammad Saidur Rahman
Abstract: As over 200 million new malware samples are identified each year, antivirus systems must continuously adapt to the evolving threat landscape. However, retraining solely on new samples leads to catastrophic forgetting and exploitable blind spots, while retraining on the entire dataset incurs substantial computational cost. We propose FreeMOCA, a memory- and compute-efficient continual learning framework for malicious code analysis that preserves prior knowledge via adaptive layer-wise interpolation between consecutive task updates, leveraging the fact that warm-started task optima are connected by low-loss paths in parameter space. We evaluate FreeMOCA in both class-incremental (Class-IL) and domain-incremental (Domain-IL) settings on large-scale Windows (EMBER) and Android (AZ) malware benchmarks. FreeMOCA achieves substantial gains in Class-IL, outperforming 11 baselines on both EMBER and AZ benchmarks. It also significantly reduces forgetting, achieving the best retention across baselines, and improving accuracy by up to 42% and 37% on EMBER and AZ, respectively. These results demonstrate that warm-started interpolation in parameter space provides a scalable and effective alternative to replay for continual malware detection. Code is available at: https://github.com/IQSeC-Lab/FreeMOCA.
Authors: Ethan Parks, Dalal Alharthi
Abstract: Practitioners deploying multi-agent large language model (LLM) systems must currently choose between communication topologies such as chain, star, mesh, and richer variants without any pre-inference diagnostic for which topology will amplify drift, converge to consensus, or remain robust under perturbation. Existing evaluation answers these questions only post hoc and only for the task measured. We introduce a structural diagnostic for multi-agent LLM communication graphs based on the successor representation $M = (I - \gamma P)^{-1}$ of the row-stochastic communication operator, and we connect three of its spectral quantities, the spectral radius $\rho(M)$, the spectral gap $\Delta(M)$, and the condition number $\kappa(M)$, to three distinct failure modes. We derive closed-form spectra for the chain, star, and mesh under row-stochastic normalization, and validate the predictions on a 12-step structured state-tracking task with Qwen2.5-7B-Instruct over 100 independent trials. The condition number is a perfect rank-order predictor of empirical perturbation robustness ($r_s = 1.0$); the spectral gap partially predicts consensus dynamics ($r_s = 0.5$); and the spectral radius is perfectly \emph{inverted} with respect to cumulative error ($r_s = -1.0$). We trace this inversion to a regime in which linear spectra are blind to non-contracting bias drift, and we propose an affine-noise extension of the predictive map that recovers the empirical ordering. We read this as a first step toward representational, drift-aware structural diagnostics for multi-agent LLM systems, sitting alongside classical spectral and consensus theory.
Authors: Yanyan Zhang, Chaoda Song, Vikash Singh, Xinpeng Li, Kai Ye, Zhe Hu, Zhongzhu Pu, Yu Yin, Vipin Chaudhary
Abstract: Vision-Language-Action (VLA) models achieve remarkable flexibility and generalization beyond classical control paradigms. However, most prevailing VLAs are trained under a single-frame observation paradigm, which leaves them structurally blind to temporal dynamics. Consequently, these models degrade severely in non-stationary scenarios, even when trained or finetuned on dynamic datasets. Existing approaches either require expensive retraining or suffer from latency bottlenecks and poor temporal consistency across action chunks. We propose Pace-and-Path Correction, a training-free, closed-form inference-time operator that wraps any chunked-action VLA. From a single quadratic cost, joint minimization yields a unified solution that decomposes orthogonally into two distinct channels. The pace channel compresses execution along the planned direction, while the path channel applies an orthogonal spatial offset, jointly absorbing the perceived dynamics within the chunk window. We evaluate our approach on a comprehensive diagnostic benchmark MoveBench designed to isolate motion as the sole controlled variable. Empirical results demonstrate that our framework consistently outperforms state-of-the-art training-free wrappers and dynamic-adaptive methods and improves success rates by up to 28.8% and 25.9% in absolute terms over foundational VLA models in dynamic-only and static-dynamic mixed environments, respectively.
Authors: Tianyu Song, Ton Viet Ta, Ngamta Thamwattana, Hisako Nomura, Linh Thi Hoai Nguyen
Abstract: Most work in audio enhancement targets human speech, while bioacoustics is less studied due to noisy recordings and the distinct traits of animal sounds. To fill this gap, we adapt speech enhancement methods and build BioSEN, a model made for bioacoustic signals. BioSEN has three modules: a multi-scale dual-axis attention unit for time-frequency feature extraction, a bio-harmonic multi-scale enhancement unit for capturing harmonic structures, and an energy-adaptive gating connection unit that uses frequency weights to keep vocalizations from being removed as noise. Tests on three bioacoustic datasets show that BioSEN matches or exceeds state-of-the-art speech enhancement models while using far less computation. These results show BioSEN's strength for bioacoustic audio enhancement and its promise for biodiversity monitoring and conservation.
Authors: Toluwani Aremu, Nils Lukas, Jie Zhang
Abstract: Watermarking is widely proposed for provenance, attribution, and safety monitoring in generative models, yet is typically evaluated only under adversaries who attempt to evade detection or induce false positives at the level of individual samples. We argue that watermarking should be treated as a monitoring primitive, and that internal monitoring is unavoidable given per-entity attribution keys and messages, as well as detector access. We introduce an observer-based threat model in which observers can aggregate watermark signals across outputs to infer entity-level information, showing that even zero-bit watermarking enables attribution under multi-key settings. We further show that external monitoring can emerge over time from persistent, key-dependent statistical structure, although this depends on watermark design and may be mitigated by distribution-preserving or undetectable schemes. Our findings reveal a fundamental dual-use tension between attribution and monitoring, motivating evaluation of watermarking beyond per-sample robustness to account for aggregation and observer-based capabilities.
Authors: Carl Osborne, Minghao Guo, Crystal Owens, Wojciech Matusik
Abstract: Neural preconditioners for real-time physics simulation offer promising data-driven priors, but they often fail to capture long-range couplings efficiently because they inherit local message passing or sparse-operator access patterns. We introduce the Hierarchical Transformer Preconditioner, a neural preconditioner anchored to a weak-admissibility H-matrix partition. The partition provides a multiscale structural prior (dense diagonal leaves plus coarsening off-diagonal tiles) that enables full-graph approximate-inverse computation with O(N) scaling at fixed block sizes. The network models the inverse through low-rank far-field factors and uses highway connections (axial buffers plus a global summary token) to propagate context across transformer depth. At each PCG iteration, preconditioner application reduces to batched dense GEMMs with regular memory access. The key training contribution is a cosine-Hutchinson probe objective that learns the action of MA on convergence-critical spectral subspaces, optimizing angular alignment of MAz with z rather than forcing eigenvalue clusters to a prescribed location. This removes unnecessary spectral-placement constraints from SAI-style objectives and improves conditioning on irregular spectra. Because both inference and apply are dense, dependency-free tensor programs, the full solve loop is captured as a single CUDA Graph. On stiff multiphase Poisson systems (up to 100:1 density contrast, N = 1,024-16,384), the solver runs from ~143 to ~21 fps. At N = 8,192, it reaches 17.9 ms/frame, with 2.2x speedup over GPU Jacobi, ~28x over GPU IC/DILU (AMGX multicolor_dilu), and 2.7x over neural SPAI retrained per scale on the same benchmark.
Authors: Chaehee Song, Minseok Seo, Yeeun Seong, Doyi Kim, Changick Kim
Abstract: Large language models (LLMs) are typically deployed with fixed parameters, and their performance is often improved by allocating more computation at inference time. While such test-time scaling can be effective, it cannot correct model misconceptions or adapt the model to the specific structure of an individual query. Test-time optimization addresses this limitation by enabling parameter updates during inference, but existing approaches either rely on external data or optimize generic self-supervised objectives that lack query-specific alignment. In this work, we propose Query-Conditioned Test-Time Self-Training (QueST), a framework that adapts model parameters during inference using supervision derived directly from the input query. Our key insight is that the input query itself encodes latent signals sufficient for constructing structurally related problem--solution pairs. Based on this, QueST generates such query-conditioned pairs and uses them as supervision for parameter-efficient fine-tuning at test time. The adapted model is then used to produce the final answer, enabling query-specific adaptation without any external data. Across seven mathematical reasoning benchmarks and the GPQA-Diamond scientific reasoning benchmark, QueST consistently outperforms strong test-time optimization baselines. These results demonstrate that query-conditioned self-training is an effective and practical paradigm for test-time adaptation in LLMs. Code is available at https://chssong.github.io/Query-Conditioned-TTST/.
Authors: Zijie Wu, Lixin Xu, Puhua Jiang, Sicong Liu, Chunchao Guo, Xiang Bai
Abstract: Video-guided 3D animation holds immense potential for content creation, offering intuitive and precise control over dynamic assets. However, practical deployment faces a critical yet frequently overlooked hurdle: the pose misalignment dilemma. In real-world scenarios, the initial pose of a user-provided static mesh rarely aligns with the starting frame of a reference video. Naively forcing a mesh to follow a mismatched trajectory inevitably leads to severe geometric distortion or animation failure. To address this, we present Rectified Dynamic Mesh (R-DMesh), a unified framework designed to generate high-fidelity 4D meshes that are ``rectified'' to align with video context. Unlike standard motion transfer approaches, our method introduces a novel VAE that explicitly disentangles the input into a conditional base mesh, relative motion trajectories, and a crucial rectification jump offset. This offset is learned to automatically transform the arbitrary pose of the input mesh to match the video's initial state before animation begins. We process these components via a Triflow Attention mechanism, which leverages vertex-wise geometric features to modulate the three orthogonal flows, ensuring physical consistency and local rigidity during the rectification and animation process. For generation, we employ a Rectified Flow-based Diffusion Transformer conditioned on pre-trained video latents, effectively transferring rich spatio-temporal priors to the 3D domain. To support this task, we construct Video-RDMesh, a large-scale dataset of over 500k dynamic mesh sequences specifically curated to simulate pose misalignment. Extensive experiments demonstrate that R-DMesh not only solves the alignment problem but also enables robust downstream applications, including pose retargeting and holistic 4D generation.