Authors: Alexander Kalinowski
Abstract: Representational collapse, where embeddings become anisotropic and lose multi-scale structure, can erode downstream performance long before performance metrics react. We propose an online, topology-aware monitor for evolving neural representations that couples Modular Morse Homology Maintenance (MMHM) with a composite Collapse Index (CI). Instead of rebuilding complexes each epoch, we apply sparse edits at a fixed scale and maintain a discrete Morse matching, yielding fast, incremental updates. Across LLM fine-tuning and temporal KGE training, CI provides a low-latency early-warning signal suitable for in-training interventions. Code and experimental scripts will be released publicly
Authors: Michael Cardei, Huu Binh Ta, Ferdinando Fioretto
Abstract: Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state prediction for that position. Thus, still-masked positions must be repeatedly inferred from the mask token alone. This design choice limits cross-step refinement. To address this limitation, this paper proposes a simple, yet effective, post-training adaptation for MDMs that conditions each denoising step on the model's own previous clean-state predictions. The resulting method, called Self-Conditioned Masked Diffusion Models (SCMDM), requires minimal architectural change, does not introduce a recurrent latent-state pathway, does not rely on an auxiliary reference model, and adds no extra denoiser evaluations during sampling. This is an important departure from partial self-conditioning approaches which requires expensive model training from scratch. In particular, the paper shows that partial self-conditioning, including the commonly used 50% dropout strategy for training self-conditioned models from scratch, is suboptimal in the post-training regime. Instead, once the model's self-generated clean-state estimates become informative, the specialization to refinement is preferable to mixing conditional and unconditional objectives. SCMDM is evaluated across multiple domains, demonstrating consistent improvement over vanilla MDM baselines, achieving nearly a 50% reduction in generative perplexity on OWT-trained models (42.89 to 23.72), alongside strong improvements in discretized image synthesis quality, small molecular generation, and enhanced fidelity in genomic distribution modeling.
Authors: Zheng Zhang, Milad Masroor, Cuong Nguyen, Tahir Hassan, Yuanhong Chen, David Rosewarne, Kevin Wells, Thanh-Toan Do, Gustavo Carneiro
Abstract: Recent advances in data-centric medical AI have produced highly accurate diagnostic systems, but the emphasis on data curation and performance metrics has not translated into widespread clinical adoption. We conjecture that this limited uptake stems from insufficient attention dedicated to the optimisation of fair performance across diverse patient populations and to workflow integration: performance biases can create regulatory barriers, and poorly integrated automation can disrupt clinical routines, degrade the quality of human-AI collaboration, and reduce clinicians' willingness to adopt AI tools. Prior work on workflow integration (e.g., Learning to Defer (L2D) and Learning to Complement (L2C)) and AI fairness has typically examined these challenges in isolation, overlooking their natural interdependence and the practical constraints of clinical environments, such as restricted clinician availability. We propose People-Centred Medical Image Analysis (PecMan), a human-AI framework that jointly optimises fairness, diagnostic accuracy, and workflow effectiveness through a dynamic gating mechanism that assigns cases to AI, clinicians, or both under clinician workload constraints. We also introduce the Fairness and Human-Centred AI (FairHAI) benchmark for evaluating trade-offs between accuracy, fairness, and clinician workload. Experiments using this benchmark show that PecMan consistently outperforms existing methods, paving the way for more trustworthy and clinically viable AI systems. Code will be available upon paper acceptance.
Authors: Qisheng Hu, Quanyu Long, Wenya Wang
Abstract: Memory-augmented LLM agents offer an appealing shortcut to continual learning: rather than updating model parameters, they accumulate experience in external memory, seemingly sidestepping the stability-plasticity dilemma of parametric learning. We show that this challenge does not disappear but resurfaces at the memory level. Under a limited context window, old and new experiences compete during retrieval, relocating the continual-learning bottleneck from parameter updates to memory access. To study this phenomenon, we introduce a (k,v) framework that disentangles two fundamental design axes of external memory: how experience is represented and how it is organized for retrieval. Across sequential-task experiments in ALFWorld and BabyAI, we find that abstract procedural memories transfer more reliably than detailed trajectories, while negative transfer disproportionately harms the hard cases. Moreover, finer-grained memory organization is not universally beneficial: designs that yield strong forward transfer can simultaneously induce severe forgetting. Together, these results reveal that external memory does not resolve the continual-learning problem; it reshapes it into a problem of memory representation and retrieval design.
Authors: Alessia Berarducci, Eric Rossetto, Alessandro Antonucci, Marco Zaffalon
Abstract: AutoML, intended as the process of automating the application of machine learning to real-world problems, is a key step for AI popularisation. Most AutoML frameworks are not accounting for the potential lack of fairness in the training data and in the corresponding predictions. We introduce \textsc{FairMind}, a software prototype aiming to automatise fairness analysis at the dataset level. We achieve that by resorting to the assumptions of the \emph{standard fairness model}, recently proposed by Ple\v{c}ko and Bareinboim. This allows for a sound fairness evaluation in terms of causal effects, based on \emph{counterfactual} queries involving the target, possibly confounders and mediators, and the different values of an input feature we regard as \emph{protected}. After the necessary data preprocessing, the tool implements a closed-form computation of the effects. LLMs are consequently exploited to generate accurate reports on the fairness levels detected in the training dataset. We achieve that in a zero-shot setup and show by examples the expected advantages with respect to a direct analysis performed by the LLM. To favour applications, extensions to ordinal protected variable and continuous targets and novel decomposition results are also discussed.
Authors: Guillermo Iglesias, Gema Bello-Orgaz, Mar\'ia Navas-Loro, Cristian Ramirez-Atencia, Merc\`e Salvador Robert, Enrique Baca-Garcia
Abstract: The scarcity of high-quality annotated medical data, particularly in mental health, poses a significant bottleneck for training robust machine learning models. Privacy regulations restrict data sharing, making synthetic data generation a promising alternative. The use of Large Language Models (LLMs) in a data augmentation pipeline could be leveraged as an alternative in this field. In the proposed methodology, DeepSeek-R1, OpenBioLLM-Llama3 and Qwen 3.5 are used to generate synthetic mental health evaluation reports conditioned on specific International Classification of Diseases, Tenth Revision (ICD-10) codes. Because naive text generation can lead to mode collapse or privacy breaches (memorization), a comprehensive evaluation framework is introduced. The generated diagnostic texts are assessed across three dimensions: semantic fidelity, lexical diversity, and privacy/plagiarism. The results demonstrate that all models can generate clinically coherent, diverse, and privacy-safe synthetic reports, significantly expanding the available training data for clinical natural language processing tasks without compromising patient confidentiality.
Authors: Wenhao Lan, Shan Li, Junbin Yang, Haihua Shen, Yijun Yang
Abstract: Safety-aligned language models must refuse harmful requests without collapsing into broad over-refusal, but the training-time mechanisms behind this tradeoff remain unclear. Prior work characterizes refusal directions and jailbreak robustness, yet does not explain how dynamic adversarial fine-tuning changes refusal carriers across training. We present a measurement-driven mechanism study, not a new defense, on one 7B backbone under supervised fine-tuning (SFT) and R2D2-style dynamic adversarial fine-tuning. Our protocol aligns fixed-source HarmBench, StrongREJECT, and XSTest with a five-anchor refusal-geometry suite and causal interventions. R2D2 drives fixed-source HarmBench ASR to 0.000 at steps 50 and 100, then partially reopens to 0.035 at step 250 and 0.250 at step 500; SFT remains less robust, with ASR between 0.505 and 0.588 at the same anchors. On XSTest, R2D2 any-refusal is 1.000 early, then falls to 0.664 and 0.228. Geometrically, R2D2 preserves a late-layer admissible carrier through step 100 before relocating to an early-layer carrier, while effective rank remains near 1.23--1.27. Causal interventions indicate low-dimensional but utility-coupled control. These results support a reorganization account rather than a drift-only account, with evidence limited to one backbone and fixed-source attacks.
Authors: Karthik Charan Raghunathan, Christian Metzner, Laura Kriener, Melika Payvand
Abstract: In a continual learning setting, we require a model to be plastic enough to learn a new task and stable enough to not disturb previously learned capabilities. We argue that this dilemma has an architectural root. A finite network has limited representational and plastic resources, yet the required capacity depends on properties of the future task stream that are unknown: how many tasks will be encountered, and how much they overlap in feature space. Regularization-based methods preserve past knowledge within fixed-capacity architectures and therefore implicitly rely on an oracle architecture sized for this unknown future. When tasks are only weakly related, fixed architectures progressively run out of plastic resources; when tasks are few or strongly overlapping, models are often over-provisioned. Inspired by neurogenesis in biology, we propose NORACL to address the stability-plasticity dilemma by tackling the oracle architecture problem through neuronal growth. Starting from a compact network, NORACL grows only when needed by monitoring two complementary signals for representational and plasticity saturation. We evaluate NORACL against oracle-sized static baselines across varying task counts and geometries. Across all settings, NORACL achieves final average accuracies that are better than or on par with oracle-provisioned static baselines while using fewer parameters. Additionally, NORACL yields architectures with interpretable growth, i.e. dissimilar tasks predominantly expand feature-extraction layers, whereas tasks which rely on common features shift growth toward later feature-combination layers. Our analysis further explains why fixed-capacity networks lose plasticity as tasks accumulate, whereas NORACL creates fresh capacity for new tasks through growth. Together, these results show that adaptive neurogenesis pushes the stability-plasticity Pareto frontier of continual learning.
Authors: Taida Li, Yujun Yan, Fei Dou, Wenzhan Song, Xiang Zhang
Abstract: Deep learning for cross-subject EEG decoding is hindered by high inter-subject variability, which introduces a severe domain shift between training and unseen test subjects. This survey presents a comprehensive review of deep learning methodologies specifically engineered to address this cross-subject generalization challenge. To ground this analysis, we formalize the cross-subject setting as a multi-source domain problem and delineate the rigorous, subject-independent evaluation protocols required for valid assessment. Central to this survey is a systematic taxonomy of the current literature into discrete methodological families, including feature alignment, adversarial learning, feature disentanglement, and contrastive learning. We conclude by examining three critical elements for advancing robust, real-world decoding: the theoretical limitations of current methodologies, the structural value of subject identity, and the emergence of EEG foundation models.
Authors: Samuel L Pugh, Eric Yang, Alexander Muir Sutherland, Alessandra Breschi
Abstract: As Large Language Model (LLM) agents transition from single-session tools to persistent systems managing longitudinal healthcare journeys, their memory architectures face a critical challenge: reconciling two imperfect sources of truth. The patient's evolving self-report is current but prone to recall bias, while the Electronic Health Record (EHR) is medically validated but frequently stale. General-purpose agent memory systems optimize for coherence by overwriting older facts with the user's latest statement, a pattern that risks safety failures when applied to clinical data. We introduce a Dual-Stream Memory Architecture that strictly separates the patient narrative from the structured clinical record (FHIR), governed by a dedicated Reconciliation Engine that evaluates every extracted memory against the patient's FHIR profile and classifies discrepancies by type, severity, and the specific FHIR resources involved. We evaluate this architecture on 26 patients across 675 longitudinal wellness coaching sessions, using a hybrid dataset that interleaves real provider-patient transcripts with synthetic, FHIR-grounded clinical scenarios. In isolated testing, the engine detects 84.4% of designed clinical discrepancies with 86.7% safety-critical recall. By coupling extraction and reconciliation evaluation on the same data, we directly quantify a 13.6% error cascade, tracing the degradation to clinical details lost during memory extraction from unstructured conversation rather than to downstream classification errors. These findings establish that validating patient-reported memories against clinical records is both feasible and necessary for safe deployment of longitudinal health agents.
Authors: Aditya A. Ramesh, Alex Lewandowski, J\"urgen Schmidhuber
Abstract: Continual learning agents with finite capacity must balance acquiring new knowledge with retaining the old. This requires controlled forgetting of knowledge that is no longer needed, freeing up capacity to learn. Weight decay, viewed as a mechanism for forgetting, can serve this role by gradually discarding information stored in the weights. However, a fixed scalar weight decay drives this forgetting uniformly over time and uniformly across all parameters, even when some encode stable knowledge while others track rapidly changing targets. We introduce Forgetting through Adaptive Decay (FADE), which adapts per-parameter weight decay rates online via approximate meta-gradient descent. We derive FADE for the online linear setting and apply it to the final layer of neural networks. Our empirical analysis shows that FADE automatically discovers distinct decay rates for different parameters, complements step-size adaptation, and consistently improves over fixed weight decay across online tracking and streaming classification problems.
Authors: Boris Shigida, Boris Hanin, Andrey Gromov
Abstract: The Normalized Transformer, or nGPT (arXiv:2410.01131) achieves impressive training speedups and does not require weight decay or learning rate warmup. However, despite having hyperparameters that explicitly scale with model size, we observe that nGPT does not exhibit learning rate transfer across model dimension and token horizon. To rectify this, we combine numerical experiments with a principled use of alignment exponents (arXiv:2407.05872) to revisit and modify the $\mu$P approach to hyperparameter transfer (arXiv:2011.14522). The result is a novel nGPT parameterization we call $\nu$GPT. Through extensive empirical validation, we find $\nu$GPT exhibits learning rate transfer across width, depth, and token horizon.
Authors: Naibin Gu, Chenxu Yang, Qingyi Si, Chuanyu Qin, Dingyu Yao, Peng Fu, Zheng Lin, Weiping Wang, Nan Duan, Jiaqi Wang
Abstract: RLVR and OPD have become standard paradigms for post-training. We provide a unified analysis of these two paradigms in consolidating multiple expert capabilities into a single model, identifying capability loss in different ways: mixed RLVR suffers from inter-capability divergence cost, while the pipeline of first training experts and then performing OPD, though avoiding divergence, fails to fully absorb teacher capabilities due to large behavioral pattern gaps between teacher and student. We propose Co-Evolving Policy Distillation (CoPD), which encourages parallel training of experts and introduces OPD during each expert's ongoing RLVR training rather than after complete expert training, with experts serving as mutual teachers (making OPD bidirectional) to co-evolve. This enables more consistent behavioral patterns among experts while maintaining sufficient complementary knowledge throughout. Experiments validate that CoPD achieves all-in-one integration of text, image, and video reasoning capabilities, significantly outperforming strong baselines such as mixed RLVR and MOPD, and even surpassing domain-specific experts. The model parallel training pattern offered by CoPD may inspire a novel training scaling paradigm.
Authors: Ahan Gupta, Zhihao Wang, Neel Dani, Masahiro Tanaka, Olatunji Ruwase, Minjia Zhang
Abstract: Large-language-models (LLMs) demonstrate enormous utility in long-context tasks which require processing prompts that consist of tens to hundreds of thousands of tokens. However, existing LLM training libraries do not provide easy to use abstractions to optimize for long-context training, instead focusing on optimizations for models with large parameter counts through ZeRO-3/FSDP, Tensor and Pipeline parallelism. This forces users to rewrite LLM training libraries to incorporate compositions of various complex long-context optimizations, such as sequence-parallelism, to training pipelines; a process that requires in-depth expertise, reducing developer productivity. To tackle these challenges, we introduce AutoSP: the first automated solution to automatically optimize LLM training for longer-contexts. AutoSP compiles models and applies a targeted set of optimizations: automated sequence parallelism, and long-context aware activation-checkpointing, to drastically enhance LLM trainability at negligible cost to throughput. Our evaluation demonstrates AutoSP's capability on both NVIDIA and AMD hardware, increasing training contexts by upto 2.7$\times$ and 2.5$\times$ respectively over competitive hand-written baseline at negligible cost to runtime performance.
Authors: Isaac Tettey Adjokatse, Samuel Senyo Koranteng, George Yamoah Afrifa, Theophilus Ansah-Narh, Marcellin Atemkeng, Joseph Bremang Tandoh, Kow Ahor Essel-Yorke, Richmond Opoku-Sarkodie, Rebecca Davis
Abstract: Soil contamination by heavy metals poses a persistent environmental and public health concern in rapidly urbanising regions of Ghana, particularly at unregulated waste disposal sites. This study applies an unsupervised machine learning framework to detect and characterise anomalous heavy metal contamination patterns in soils from twelve waste sites and residential controls in the Central Region, of Ghana. Concentrations of eight metals (As, Cd, Cr, Cu, Hg, Ni, Pb, Zn) were analysed alongside standard health risk indices, including the Hazard Index (HI) and Incremental Lifetime Cancer Risk (ILCR). Isolation Forest and PCA reconstruction error each identified $12$ anomalous samples ($15.4\%$ of $78$ samples), while DBSCAN detected no density-isolated noise points. A consensus approach isolated six robust anomalies ($7.7\%)$, all spatially concentrated at a single site (S3). Anomalies exhibited approximately $70$--$80\%$ higher mean HI values than normal samples, with all consensus anomalies exceeding the HI$=1$ threshold. PCA reconstruction error showed a strong positive association with HI ($r \approx 0.8$), indicating consistency between multivariate deviation and health risk. Three distinct anomaly types were identified: extreme Cu enrichment at S3, anomalously low Ni at S4/S5, and moderate multi-metal (Pb--Zn) co-elevation at S9--S12. The results demonstrate that unsupervised machine learning provides granular, objective insight beyond aggregate indices, enabling targeted site prioritisation and risk-informed environmental management.
Authors: Vijay Sadashivaiah, Georgios Dasoulas, Judith Mueller, Soumya Ghosh
Abstract: Training stable biological foundation models requires rethinking attention mechanisms: we find that using sigmoid attention as a drop in replacement for softmax attention a) produces better learned representations: on six diverse single-cell datasets, sigmoid achieves 25% higher cell-type separation, better cell-type cohesion metrics, and lower validation loss, b) faster training, models with sigmoid attention train up to 10% faster than their softmax counterparts, and c) more stable training by eliminating inherent sources of instability in softmax attention. We establish that sigmoid attention has globally bounded derivatives ($\leq 0.25$) as opposed to softmax, and a diagonal Jacobian structure in contrast with softmax's dense coupling, which together help alleviate training instabilities. In stress tests on 160M-parameter bidirectional attention models trained without gradient clipping on 8K-token sequences, softmax diverges catastrophically, with gradients exploding by four orders of magnitude, while sigmoid remains stable. Finally, we implement and open-source TritonSigmoid, an efficient GPU kernel that achieves 515 TFLOPS on H100 GPUs, outperforming both FlashAttention-2 and FlashSigmoid, with native padding support, which is essential for biological sequences. Our results establish sigmoid attention as both theoretically grounded and empirically superior for biological foundation models. Code is available at https://github.com/MSDLLCpapers/triton-sigmoid
Authors: Jerry Y. Huang, Justin Lin, Sheel Shah, Kartik Nair, Nicholas M. Boffi
Abstract: In generative modeling, we often wish to produce samples that maximize a user-specified reward such as aesthetic quality or alignment with human preferences, a problem known as guidance. Despite their widespread use, existing guidance methods either require expensive multi-particle, many-step schemes or rely on poorly understood approximations. We reformulate guidance as a deterministic optimal control problem, yielding a hierarchy of algorithms that subsumes existing approaches at the coarsest level. We show that the flow map, an object of significant recent interest for its role in fast inference, arises naturally in the optimal solution. Based on this observation, we propose Flow Map Reward Guidance (FMRG): a training-free, single-trajectory framework that uses the flow map to both integrate and guide the flow. At text-to-image scale, FMRG matches or surpasses baselines across inverse problems, style transfer, human preferences, and VLM rewards with as few as 3 NFEs, giving at least an order-of-magnitude speedup in comparison to prior state of the art.
Authors: Fatima Rabia Yapicioglu, Meltem Aksoy, Alberto Rigenti, Tuwe L\"ofstr\"om-Cavallin, Helena L\"ofstr\"om-Cavallin, Seyda Yoncaci, Luca Longo
Abstract: Conformal Prediction provides distribution-free prediction intervals with guaranteed coverage, but its reliance on a single global calibration threshold obscures the sources of uncertainty at the instance level. In particular, it conflates irreducible noise with uncertainty induced by heterogeneous training data (aleatoric), model limitations, or calibration mismatch (epistemic), offering little insight into why an interval is wide or whether it could be reduced. We introduce an uncertainty-aware explainability framework that analyses the reducibility of calibration-induced epistemic conformal uncertainty via progressive calibration localisation for regression tasks. The approach is diagnostic rather than causal: it does not estimate true aleatoric or epistemic uncertainty, but explains how conformal intervals contract and stabilise as calibration support is localised around a test instance. Across benchmarks and real-world data, absolute reducible uncertainty aligns with epistemic proxies, while its relative contribution varies by task, revealing regimes hidden by interval width. This instance-level view complements conformal uncertainty, enhancing interpretability without altering the predictor or coverage.
Authors: Marvin F. da Silva, Mohammed Adnan, Felix Dangel, Sageev Oore
Abstract: Model merging aims to combine multiple models into one without additional training. Na\"ive parameter-space averaging can be fragile under architectural symmetries, as their geometry does not take them into account. In this work we show that not only the geometry, but also the averaging procedure itself, must be symmetry-invariant to achieve symmetry-aware merges. Consequently, we propose a general solution: merging as Fr\'echet averaging, i.e., selecting parameters that minimize a sum of geodesic distances on an appropriate manifold. In this view, the key design choice is the overall geometry, i.e., the choice of metric, manifold, and distance approximation, that determines what it means for two models to be "close". We show that Fr\'echet averaging, combined with simplifying assumptions, contains Fisher merging. Building on this, we examine the particular case of low-rank adapters (LoRA), whose symmetries induce a distinct geometry: that of a quotient manifold. We outline the limitations of current LoRA merging methods, propose a practical algorithm for this setting, and show how they compare with other commonly used approaches.
Authors: Mehryar Mohri, Jon Schneider, Yifan Wu
Abstract: We focus on the problem of \emph{Answer-Level Fine-Tuning} (ALFT), where the goal is to optimize a language model based on the correctness or properties of its final answers, rather than the specific reasoning traces used to produce them. Directly optimizing answer-level objectives is computationally intractable due to the need to marginalize over the vast space of latent reasoning paths. To overcome this, we propose a general game-theoretical framework that lifts the problem to a \emph{Distributional Alignment Game}. We formulate ALFT as a two-player game between a Policy (the generator) and a Target (an auxiliary distribution). We prove that the Nash Equilibrium of this game corresponds exactly to the solution of the original answer-level optimization problem. This variational perspective transforms the intractable marginalization problem into a tractable projection problem. We demonstrate that this framework unifies recent approaches to diversity and self-improvement (coherence) and provide efficient algorithms compatible with Group Relative Policy Optimization (GRPO), such as Coherence-GRPO, yielding significant complexity gains in mathematical reasoning tasks.
Authors: Sara Malacarne, Eirik Hoel-H{\o}iseth, Erlend Aune, David Zsolt Biro, Massimiliano Ruocco
Abstract: We propose C-MTAD-GAT, an \emph{unsupervised}, \emph{context-aware} graph-attention model for anomaly detection in multivariate time series from mobile networks. C-MTAD-GAT combines graph attention with lightweight context embeddings, and uses a deterministic reconstruction head and multi-step forecaster to produce anomaly scores. Detection thresholds are calibrated \emph{without labels} from validation residuals, keeping the pipeline fully unsupervised. On the public TELCO dataset, C-MTAD-GAT consistently outperforms MTAD-GAT and the Telco-specific DC-VAE, two state-of-the-art baselines, in both event-level and pointwise F1, while triggering substantially fewer alarms. C-MTAD-GAT is also deployed in the Core network of a national mobile operator, demonstrating its resilience in real industrial settings.
Authors: Ci Lin, Futong Li, Tet Yeap, Iluju Kiringa
Abstract: Time-series data augmentation plays a crucial role in regression-oriented forecasting tasks, where limited data restricts the performance of deep learning models. While Generative Adversarial Networks (GANs) have shown promise in synthetic time-series generation, existing approaches primarily focus on matching marginal data distributions and often overlook the temporal dynamics that naturally exist in the original multivariate time series. When generating multivariate time series, this mismatch leads to distribution shift and temporal drift, thereby degrading the fidelity of the synthetic sequences. In this work, we propose a model-agnostic Markov Chain Monte Carlo (MCMC)-based framework to mitigate distribution shift and preserve temporal dynamics in synthetic time series. We provide a theoretical analysis of how conditional generative models accumulate deviations under sequential generation and demonstrate that the MCMC algorithm can correct these discrepancies by enforcing consistency with empirical transition statistics between neighboring time points. Extensive experiments on the Lorenz, Licor, ETTh, and ILI datasets using RCGAN, GCWGAN, TimeGAN, SigCWGAN, and AECGAN demonstrate that the proposed MCMC framework consistently improves autocorrelation alignment, skewness error, kurtosis error, R$^2$, discriminative score, and predictive score. These results suggest that synthetic time series consistent with the original data require explicit preservation of transition laws rather than solely relying on adversarial distribution matching, thereby offering a principled direction for improving generative modeling of time-series data.
Authors: Astitva Goel, Samarth Galchar, Sumit Kanu
Abstract: Remaining Useful Life (RUL) estimation is a critical component of Prognostics and Health Management (PHM), enabling proactive maintenance scheduling and reducing unplanned failures in industrial equipment. This paper presents a comparative study of machine learning approaches for RUL estimation on the NASA C-MAPSS turbofan engine dataset: classical baselines (Ridge Regression, Polynomial Ridge, and XGBoost), a 1D Convolutional Neural Network (CNN), and a Long Short-Term Memory (LSTM) network. All models are evaluated on the FD001 and FD003 subsets under an identical preprocessing pipeline to ensure a fair comparison. Among raw-sequence models, the LSTM achieves RMSE of 14.93 and 14.20 on FD001 and FD003 respectively, outperforming the deep LSTM reported by Zheng et al.~\cite{paper} (RMSE 16.14 and 16.18) despite using a simpler single-layer architecture. The 1D CNN achieves RMSE of 16.97 on FD001 and 15.68 on FD003, demonstrating competitive performance on FD003 while producing more conservative RUL predictions on FD001. Ridge Regression is evaluated on raw and engineered features, while other classical models use only engineered inputs. XGBoost achieves an RMSE of 13.36 on FD003, highlighting the competitiveness of nonlinear modeling.
Authors: Jiaru Zhang, Zeyun Deng, Juanwu Lu, Ziran Wang, Ruqi Zhang
Abstract: Drifting models are capable one-step generative models trained to follow a drifting field. The field combines attractive and repulsive softmax-weighted centroids over the data and current-generator distributions. In practice, only a minibatch of $n$ samples from each distribution is available, and each centroid is approximated by an empirical estimate. In this paper, we begin by showing that the minibatch centroid is in general a biased estimator of the target centroid, with a pointwise $O(1/n)$ bias arising from softmax self-normalization. Correcting this bias requires the expectation over the full distribution, which is intractable. We instead approximate the leading bias term from in-batch statistics and propose Analytical Bias Correction (ABC), a closed-form plug-in adjustment. We prove that ABC reduces the bias from $O(1/n)$ to $O(1/n^2)$, introduces no first-order increase in total variance, and preserves convex-hull containment of the corrected centroid. In practice, ABC requires only two additional lines of code and has negligible wall-time overhead under compiled execution. Toy experiments confirm the theoretical $O(1/n)$ and $O(1/n^2)$ scaling. On CIFAR-10, ABC reduces FID and trains faster, with the largest gains at small $n$, where the bias is most significant.
Authors: Ali Jaberi (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, ON, Canada), Yonatan Kurniawan (Department of Material Science and Engineering, University of Toronto, Toronto, ON, Canada), Robert Black (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, ON, Canada), Shayan Mousavi M. (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, ON, Canada), Kabir Verma (Cheriton School of Computer Science, University of Waterloo, Waterloo, ON, Canada), Zoya Sadighi (Clean Energy Innovation Research Center, National Research Council Canada, Mississauga, ON, Canada), Santiago Miret (Lila Sciences, San Francisco, CA, USA), Jason Hattrick-Simpers (Department of Material Science and Engineering, University of Toronto, Toronto, ON, Canada)
Abstract: This paper introduces AutoREC, an open-source Python package for developing reinforcement learning (RL) agents to automatically generate equivalent circuit models (ECMs) from electrochemical impedance spectroscopy (EIS) data. While ECMs are a standard framework for interpreting EIS data, traditional identification is typically based on manual trial-and-error, which requires domain experts and limits scalability, particularly in autonomous experimental pipelines such as self-driving laboratories. AutoREC addresses this challenge by formulating ECM construction as a sequential decision-making problem within a Markov Decision Process framework. It implements a Double Deep Q-Network with prioritized experience replay, along with a dedicated dead-loop mitigation strategy, to efficiently explore a complex action space for circuit generation. To demonstrate the capabilities of the platform, we trained an RL agent using AutoREC and evaluated its strengths and limitations across diverse datasets, while also discussing possible strategies to mitigate these limitations in future agent designs. The trained agent achieved a success rate exceeding $99.6\%$ on synthetic datasets and demonstrated strong generalization to unseen experimental EIS data from batteries, corrosion, oxygen evolution reaction, and CO$_2$ reduction systems. These results position AutoREC as a promising platform for adaptive and data-driven ECM generation, with potential for integration into automated electrochemical workflows.
Authors: Yizhou Wu, Shansong Wang, Yuheng Li, Mojtaba Safari, Mingzhe Hu, Chih-Wei Chang, Harini Veeraraghavan, Xiaofeng Yang
Abstract: Brain MRI underpins a wide range of neuroscientific and clinical applications, yet most learning-based methods remain task-specific and require substantial labeled data. Here we show that a single self-supervised representation can generalize across heterogeneous brain MRI endpoints. We trained BrainDINO, a self-distilled foundation model, on approximately 6.6 million unlabeled axial slices from 20 datasets encompassing broad variation in population, disease, and acquisition setting. Using a frozen encoder with lightweight task heads, BrainDINO supported transfer across tumor segmentation, neurodegenerative and neurodevelopmental conditions classification, brain age estimation, post-stroke temporal prediction, molecular status prediction, MRI sequence classification, and survival modeling. Across tasks and supervision regimes, BrainDINO consistently equaled or exceeded natural-image and MRI-specific self-supervised baselines, with particularly strong advantages under label scarcity. Representation analyses further showed anatomically organized and pathology-sensitive feature structure in the absence of task-specific supervision. Our findings indicate that large-scale slice-wise self-supervised learning can yield a unified brain MRI representation that supports diverse neuroimaging tasks without volumetric pretraining or full-network fine-tuning, establishing a scalable foundation for robust and data-efficient brain imaging analysis.
Authors: Minghao Gu, Weizhi Lin, Qiang Huang
Abstract: Nonstationary Gaussian processes (GPs) are essential for modeling complex, locally heterogeneous spatial data. A common modeling approach is the spatial deformation method that warps the domain to recover isotropy. However, this static method does not account for changes in spatial correlation induced by covariates, limiting its ability to predict nonstationary GPs under new covariate conditions. To enable predictive modeling of the deformation method, we propose to model the spatial deformation as a function of covariates. The spaces of diffeomorphic deformations and Euclidean covariate vectors are connected by characterizing deformations as generated by velocity fields living in a Lie algebra. To overcome the estimation instability caused by high-order interactions between multiple covariates in a general Lie algebra, we prove that those interactions can be truncated with a moderate physical assumption. Based on the theoretical results, a concise functional form of deformations driven by multiple covariates can be established, and an efficient estimation-inference algorithm is developed for out-of-sample nonstationary GP prediction with limited covariate-deformation sample pairs. The effectiveness and generalizability of the method are demonstrated on a simulation study and two case studies, in the fields of manufacturing and geostatistics, respectively.
Authors: Raviteja Anantha, Nick Levato, Layne C. Price
Abstract: Parameter-efficient fine-tuning (PEFT) methods face a tradeoff between adapter size and expressivity: ultra-low-parameter adapters are confined to fixed low-rank subspaces, capping performance even with extended training. We propose BoostLoRA, a gradient-boosting framework that overcomes this limit by iteratively training and merging minimal adapters on the examples the current model gets wrong. A ROTATE SVD basis strategy assigns each round to an orthogonal subspace, so cumulative effective rank grows linearly with the number of rounds while each adapter remains ultra-low-rank. After merging, adapters are discarded, leaving zero inference overhead. On Qwen2.5-3B, BoostLoRA reaches 89.1% on GSM8K and 68.8% on MATH-500, surpassing both the best single-shot ultra-low parameter adapter (TinyLoRA) and full fine-tuning; on code generation it reaches 57.2% on MBPP and 80.4% on HumanEval while full fine-tuning drops below the zero-shot baseline. We also demonstrate cross-architecture transfer on protein binding classification with ESM2-650M and cross-entropy training. BoostLoRA is, to our knowledge, the first PEFT method whose effective rank grows with training, separating per-round parameter cost from total representational capacity.
Authors: Hira Saleem, Flora Salim, Cormac Purcell
Abstract: Operational weather prediction has long relied on physics-based numerical weather prediction (NWP), whose accuracy comes at the cost of substantial compute and complex simulation workflows. Recent transformer-based forecasters offer efficient data-driven alternatives, however transformers are physics-agnostic models. Additionally, standard transformer encoders evolve representations through discrete layer updates that may be less suited to modeling smooth latent dynamics. In this work, we propose a continuous-depth transformer encoder for weather forecasting that integrates Neural Ordinary Differential Equation (Neural ODE) dynamics within each encoder block. Specifically, we replace discrete residual updates with ODE-based updates solved using adaptive numerical integration. We also introduce a two-branch attention module that combines conventional patch-wise self-attention with an auxiliary branch that applies a derivative operator to attention logits, providing an additional change-sensitive interaction signal. To further align forecasts with governing principles, we propose a customized physics-informed training objective that enforces physical consistency as a soft constraint. We evaluate the proposed method against a standard discrete transformer baseline and an existing continuous-time Neural ODE forecasting variant, demonstrating the importance of PINN-Cast in short term weather forecasting.
Authors: Yue Song
Abstract: EigenDecomposition (ED) is at the heart of many computer vision algorithms and applications. One crucial bottleneck limiting its usage is the expensive computation cost, particularly for a mini-batch of matrices in deep neural networks. Our previous work proposed a dedicated QR-based ED algorithm for batched small matrices (dim${<}32$). This short paper targets the limitation and proposes a batch-efficient Divide-and-Conquer based ED algorithm for larger matrices. The numerical test shows that for a mini-batch of matrices whose dimensions are smaller than $64$, our method can be much faster than the Pytorch SVD function.
Authors: Ta-Yang Wang, Rajgopal Kannan, Viktor Prasanna
Abstract: Heterogeneous graphs are widely used to model multi-relational systems, but missing node attributes remain a major bottleneck for downstream learning. In this paper, we identify and formalize type-dependent information asymmetry: the phenomenon that different node types provide substantially different levels of useful signal for attribute completion. Motivated by this observation, we propose TypeBandit, a lightweight, model-agnostic methodology for heterogeneous attribute completion. TypeBandit combines topology-aware initialization, type-level bandit sampling, and joint representation learning. It allocates a finite global sampling budget across node types, samples representative nodes within each type, and uses the resulting sampled type summaries as shared contextual signals during representation construction. By operating at the type level rather than over each target node's local neighborhood, TypeBandit keeps the adaptive state compact and practical for large heterogeneous graphs. A key advantage of TypeBandit is architectural flexibility. Rather than requiring a new heterogeneous graph neural network architecture, TypeBandit acts as a type-aware front end for representative heterogeneous GNN backbones, including R-GCN, HetGNN, HGT, and SimpleHGN. We further introduce a hybrid pretraining scheme that combines structural degree priors with feature propagation, yielding a more reliable initializer than degree-only pretraining. Under a fixed-split protocol on DBLP, IMDB, and ACM, TypeBandit provides dataset-dependent but practically meaningful gains. Additional ablation, stability, efficiency, semantic-propagation, and sampled OGBN-MAG experiments support TypeBandit as a practical strategy for heterogeneous attribute completion when type-specific information is unevenly distributed and sampling resources are limited.
Authors: Jialu Liu, Yue Cui, Shan Yu
Abstract: Accurate multiclass segmentation of the Circle of Willis (CoW) is essential for neurovascular disease management but remains challenging due to complex vascular topology and variable morphology. Existing deep learning methods often suffer from vascular discontinuities and inter-class misclassification, while current topological loss functions incur prohibitive computational costs in 3D multiclass settings. To address these limitations, we propose an Anatomically-Guided Topology-Aware Loss (AG-TAL) and introduce a large-scale, multi-center CoW dataset with unified annotations to facilitate robust model training. AG-TAL specifically integrates a radius-aware Dice loss to address class imbalance in small vessels, a breakage-aware clDice loss that utilizes group convolutions to efficiently preserve local connectivity, and an adjacency-aware co-occurrence loss that leverages anatomical priors to enforce distinct boundaries between neighboring arteries. Evaluated using 5-fold cross-validation, AG-TAL achieved an average Dice score of 80.85% for all CoW arteries, with small arteries notably higher by 1.05-3.09% compared to state-of-the-art methods. Across six independent datasets, the performance of AG-TAL achieved Dice scores ranging from 74.46% to 81.17% for all CoW arteries, with improvements of 2.20% to 9.98% for small arteries compared to other methods. This study demonstrates the superiority of AG-TAL in identifying multiclass CoW arteries and its ability to generalize well to multiple independent datasets. Furthermore, reliability analyses and clinical applications in an Alzheimer's disease cohort validate the AG-TAL's robustness and its potential for discovering imaging-based morphological biomarkers.
Authors: Zhipeng Zhang
Abstract: Statistical inference in observational science typically relies on a fundamental assumption: as sample size increases and uncertainties decrease, the inferred results should converge to the true physical quantities. This assumption underpins the notion that big data lead to more reliable conclusions. In Galactic archaeology, stellar ages inferred from spectroscopic surveys are widely used to reconstruct the formation history of the Milky Way disk. The age metallicity relation (AMR) and its derived formation timescale are often regarded as key physical diagnostics of early disk evolution. This interpretation carries an implicit premise: that observational quality does not introduce systematic bias into age inference. Here we show that this premise may fail. Using a large sample of subgiant stars, we identify a region in the observational quality parameter space (signal-to-noise ratio and parallax precision) where the inferred formation timescale exhibits a systematic offset of 0.5-1 Gyr relative to an independent asteroseismic reference, while the statistical uncertainties remain small, thus producing a stable-but-wrong inference state.
Authors: Haiyang Zhao
Abstract: Visual model-based reinforcement learning (MBRL) agents can perform well on the training distribution, but often break down once the test environment shifts. In visual MBRL, recognizing that a shift has occurred is often the easier part; the harder part is turning that recognition into useful action-level correction. We study several ways of responding to shift, including planning penalties, direct fine-tuning, global residual correction, and coarse gating. In our experiments, these approaches either do not improve closed-loop control or hurt in-distribution (ID) performance. Based on these negative results, we propose JEPA-Indexed Local Expert Growth. The method uses a frozen JEPA representation only for problem indexing, while cluster-specific residual experts add local action corrections on top of the original controller. The baseline controller itself is not modified. Using paired-bootstrap evaluation, we find that the original naive-preference variant is not stable under stricter testing. In contrast, the harder-pair variant produces statistically significant OOD improvements on all four evaluated shift conditions while preserving ID performance. The learned experts also remain useful when the same shift is encountered again, which supports the view of adaptation as incremental knowledge growth rather than repeated full retraining. We further show that automatic ID rejection can be achieved with simple density models, whereas fine-grained discrimination among OOD sub-families is limited by the representation. Overall, the results indicate that, for visual MBRL under distribution shift, the main challenge is not simply noticing that the environment has changed, but applying the right local action correction after the change has been recognized.
Authors: Lei Li, Xingwen Yu, Jianguo Ni, Junxuan Zhu, Jieqiong Zhang, Jian Zhao, Zhi Liu
Abstract: With the rapid advancement of semiconductor technology, Electronic Design Automation (EDA) has become an increasingly knowledge-intensive and document-driven engineering domain. Although large language models (LLMs) have shown strong general capabilities, applying them directly to EDA remains challenging due to limited domain expertise, cross-tool knowledge confusion, and degraded retrieval-augmented generation (RAG) performance after domain training. To address these issues, this paper presents ChipLingo, a systematic training pipeline for domain-adapted LLMs tailored to EDA scenarios. ChipLingo consists of three stages: domain corpus construction with multi-source data curation and QA augmentation, domain-adaptive pretraining with comparisons of different parameter training strategies, and instruction alignment with RAG scenario training under diverse retrieval conditions. We also curate an internal benchmark, EDA-Bench, covering representative EDA tool scenarios, with plans for public release. Experiments show that ChipLingo-8B achieves 59.7% accuracy on EDA-Bench, outperforming the same-scale base model and some larger general-purpose models. ChipLingo-32B reaches 70.02%, approaching leading closed-source commercial models. Further analysis shows that QA augmentation improves domain performance, Partial FT offers a better balance between adaptation and general capability retention than LoRA, and explicit RAG scenario training mitigates the decline in retrieval utilization after domain training. These results demonstrate the practical value of systematic domain training for knowledge-intensive EDA tasks and provide a foundation for future EDA agents and external-knowledge-driven systems.
Authors: Zehui Tang, Yuchen Liu, Feihu Huang
Abstract: Federated learning (FL) is a popular distributed learning paradigm in machine learning, which enables multiple clients to collaboratively train models under the guidance of a server without exposing private client data. However, FL's decentralized nature makes it vulnerable to poisoning attacks, where malicious clients can submit corrupted models to manipulate the system. To counter such attacks, although various Byzantine-robust methods have been proposed, these methods struggle to provide balanced defense against multiple types of attacks or rely on possessing the dataset in the server. To deal with these drawbacks, thus, we propose an effective multi-layer defensive adaptive aggregation for Bzantine-robust federated learning (AdaBFL) based on a novel three-layer defensive mechanism, which can adaptively adjust the weights of defense algorithms to counter complex attacks. Moreover, we provide convergence properties of our AdaBFL method under the non-convex setting on non-iid data. Comprehensive experiments across multiple datasets validate the superiority of our AdaBFL over the comparable algorithms.
Authors: Gabe Guo, Thanawat Sornwanee, Lutong Hao, Elon Litman, Stefano Ermon, Jose Blanchet
Abstract: Generating continuous-time, continuous-space stochastic processes (e.g., videos, weather forecasts) conditioned on partial observations (e.g., first and last frames) is a fundamental challenge. Existing approaches, (e.g., diffusion models), suffer from key limitations: (1) noise-to-data evolution fails to capture structural similarity between states close in physical time and has unstable integration in low-step regimes; (2) random noise injected is insensitive to the physical process's time elapsed, resulting in incorrect dynamics; (3) they overlook conditioning on arbitrary subsets of states (e.g., irregularly sampled timesteps, future observations). We propose ABC: Any-Subset Autoregressive Models via Non-Markovian Diffusion Bridges in Continuous Time and Space. Crucially, we model the process with one continual SDE whose time variable and intermediate states track the real time and process states. This has provable advantages: (1) the starting point for generating future states is the already-close previous state, rather than uninformative noise; (2) random noise injection scales with physical time elapsed, encouraging physically plausible dynamics with similar time-adjacent states. We derive SDE dynamics via changes-of-measure on path space, yielding another advantage: (3) path-dependent conditioning on arbitrary subsets of the state history and/or future. To learn these dynamics, we derive a path- and time-dependent extension of denoising score matching. Our experiments show ABC's superiority to competing methods on multiple domains, including video generation and weather forecasting.
Authors: Yonghao Liu, Jialu Sun, Wei Pang, Fausto Giunchiglia, Ximing Li, Xiaoyue Feng, Renchu Guan
Abstract: Graph few-shot learning, which focuses on effectively learning from only a small number of labeled nodes to quickly adapt to new tasks, has garnered significant research attention. Despite recent advances in graph few-shot learning that have demonstrated promising performance, existing methods still suffer from several key limitations. First, during the meta-training phase, these methods typically perform node representation learning in Euclidean space, which often fails to capture the inherently hierarchical structure existing in real-world graph data. Second, during the meta-testing phase, they usually fit an empirical target distribution derived from only a few support samples, even when this distribution significantly deviates from the true underlying distribution. To address these issues, we propose IMPRESS, a novel framework that IMproves graPh few-shot learning with hypeRbolic spacE and denoiSing diffuSion. Specifically, our model learns node representations in a hyperbolic space and enriches the support distribution through denoising diffusion mechanisms. Theoretically, IMPRESS achieves a tighter generalization bound. Empirically, IMPRESS consistently outperforms competitive baselines across multiple benchmark datasets.
Authors: Sivaram Krishnan, Bassel Al Homssi, Zhouyou Gu, Jihong Park, Sung-Min Oh, Jinho Choi
Abstract: Terrestrial network limitations drive the integration of non-terrestrial networks (NTNs), notably mega-constellations comprising thousands of low Earth orbit (LEO) satellites. While these satellites act as interconnected network switches via inter-satellite links (ISLs), their massive scale creates severe bottlenecks for network management. To address this, we propose a scalable, hierarchical software-defined networking (SDN) framework. Our architecture leverages graph neural networks (GNNs) to compactly represent the constellation topology, and Koopman theory to linearize nonlinear dynamics. Specifically, a Graph Koopman Autoencoder (GKAE) forecasts spatio-temporal behavior within a linear subspace for each orbital shell. A central SDN controller then aggregates these shell-level predictions for globally coordinated control. Simulations on the Starlink constellation demonstrate that our approach achieves at least a 42.8\% improvement in spatial compression and a 10.81\% improvement in temporal forecasting compared to established baselines, all while utilizing a significantly smaller model footprint.
Authors: Han Liu, Shanghao Shi, Yevgeniy Vorobeychik, Chongjie Zhang, Ning Zhang
Abstract: Low-Rank Adaptation (LoRA), which leverages the insight that model updates typically reside in a low-dimensional space, has significantly improved the training efficiency of Large Language Models (LLMs) by updating neural network layers using low-rank matrices. Since the generation of adversarial examples is an optimization process analogous to model training, this naturally raises the question: Do adversarial perturbations exhibit a similar low-rank structure? In this paper, we provide both theoretical analysis and extensive empirical investigation across various attack methods, model architectures, and datasets to show that adversarial perturbations indeed possess an inherently low-rank structure. This insight opens up new opportunities for improving both adversarial attacks and defenses. We mainly focus on leveraging this low-rank property to improve the efficiency and effectiveness of black-box adversarial attacks, which often suffer from excessive query requirements. Our method follows a two-step approach. First, we use a reference model and auxiliary data to guide the projection of gradients into a low-dimensional subspace. Next, we confine the perturbation search in black-box attacks to this low-rank subspace, significantly improving the efficiency and effectiveness of the adversarial attacks. We evaluated our approach across a range of attack methods, benchmark models, datasets, and threat models. The results demonstrate substantial and consistent improvements in the performance of our low-rank adversarial attacks compared to conventional methods.
Authors: Mahad Ali, Laura J. Brattain
Abstract: Federated Learning (FL) enables collaborative model training across distributed clients without sharing raw data, yet its performance deteriorates under statistical heterogeneity. Clustered Federated Learning addresses this challenge by grouping similar clients and training separate models per cluster. However, existing clustering strategies often rely on raw data statistics, model parameters, or heuristic similarity measures that fail to capture class-level semantic structure across heterogeneous domains and frequently require iterative coordination. We propose FMCL, a one-shot, class-aware client clustering framework that leverages foundation model representations to construct semantic client signatures. Using a frozen foundation model, FMCL computes class-level embedding prototypes for each client and measures similarity via cosine distance between their class-aware representations. Clustering is performed once prior to training, introducing no additional communication during federated optimization and remaining agnostic to the downstream model architecture. Extensive experiments across heterogeneous benchmarks demonstrate that FMCL improves federated performance and yields more stable clustering behavior compared to existing clustering-based methods under non-identically distributed data partitioning.
Authors: Saeid Asgari Taghanaki, Rakshanda Agarwal, Bruce Sun, Rohan Jha, Elias Stengel-Eskin, Sara Malvar, Rui Ying, Yifei Xu, Guilherme Potje, Tusher Chakraborty, Leonardo de Oliveira Nunes, Ranveer Chandra, Emre Kiciman
Abstract: Fine-tuning large language models (LLMs) for domain-specific tasks requires training datasets that comprehensively cover the target capabilities a practitioner needs. Yet identifying which capabilities a dataset fails to support, and doing so before an expensive fine-tuning run, remains a largely unsolved problem. We introduce GoalCover, a framework that helps practitioners systematically detect capability gaps in fine-tuning datasets through interactive goal decomposition and automated coverage assessment. GoalCover guides a practitioner through structured decomposition of a high-level goal into atomic, independently evaluable subgoals; assigns each training sample an LLM-based alignment score against every subgoal; and surfaces missing capabilities through automated analysis of low-scoring sample explanations. We validate the framework along two complementary axes. First, through controlled corruption experiments across three domains (medical QA, legal summarization, code generation), we show that GoalCover reliably distinguishes targeted from non-targeted capability impacts: target subgoals degrade by 25.6% on average versus 2.1% for non-target subgoals (Cohen's d=1.24). Second, we demonstrate downstream utility on a financial-summarization Reinforcement Fine-Tuning (RFT) task with Qwen-3-14B: training on GoalCover-filtered data improves the LLM-judge reward from 3.77 to 4.12 (out of 5) over the unfiltered baseline, and combining filtered data with goal-conditioned synthetic samples yields the strongest result (4.20). The two results together show that GoalCover works as a practical pre-fine-tuning diagnostic: it detects capability gaps and produces concrete signal for closing them.
Authors: Henrik Voigt, Michael Habeck, Joachim Giesen
Abstract: Large-scale transformers achieve impressive results on program synthesis benchmarks, yet their true generalization capabilities remain obscured by data contamination and opaque training corpora. To rigorously assess whether models are truly generalizing or merely retrieving memorized templates, we introduce a strictly controlled program synthesis environment based on a domain-specific arithmetic grammar. By systematically enumerating and evaluating millions of unique programs, we construct interpretable syntactic and semantic metric spaces. This allows us to precisely map data distributions and sample train and test splits that isolate specific distributional shifts. Our experiments demonstrate that optimizing density generalization -- through diverse sampling over both semantic and syntactic spaces -- induces robust out-of-distribution generalization. Conversely, evaluating support generalization reveals that transformers severely struggle with extrapolation, experiencing a performance drop of over 30% when forced to generate syntactically novel programs. While steadily scaling up compute improves generalization, the gains follow a strictly log-linear relationship. We conclude that robust generalization requires maximizing training diversity across multiple manifolds, and our findings indicate the necessity for novel search-based approaches to break through current log-linear scaling bottlenecks.
Authors: Branislav Kveton, Michal Valko, Matthai Phillipose, Ling Huang
Abstract: This paper proposes an algorithm for real-time learning without explicit feedback. The algorithm combines the ideas of semi-supervised learning on graphs and online learning. In particular, it iteratively builds a graphical representation of its world and updates it with observed examples. Labeled examples constitute the initial bias of the algorithm and are provided offline, and a stream of unlabeled examples is collected online to update this bias. We motivate the algorithm, discuss how to implement it efficiently, prove a regret bound on the quality of its solutions, and apply it to the problem of real-time face recognition. Our recognizer runs in real time, and achieves superior precision and recall on 3 challenging video datasets.
Authors: Mohammad Ghavamzadeh, Yaakov Engel, Michal Valko
Abstract: Policy gradient methods are reinforcement learning algorithms that adapt a parameterized policy by following a performance gradient estimate. Conventional policy gradient methods use Monte-Carlo techniques to estimate the gradient, which tend to have high variance, requiring many samples and resulting in slow convergence. We first propose a Bayesian framework for policy gradient, based on modeling the policy gradient as a Gaussian process. This reduces the number of samples needed to obtain accurate gradient estimates. Moreover, estimates of the natural gradient and a measure of the uncertainty in the gradient estimates, namely, the gradient covariance, are provided at little extra cost. Since the proposed framework considers system trajectories as its basic observable unit, it does not require the dynamics within trajectories to be of any particular form, and can be extended to partially observable problems. On the downside, it cannot exploit the Markov property when the system is Markovian. To address this, we supplement our Bayesian policy gradient framework with a new actor-critic learning model in which a Bayesian class of non-parametric critics, based on Gaussian process temporal difference learning, is used. Such critics model the action-value function as a Gaussian process, allowing Bayes rule to be used to compute the posterior distribution over action-value functions, conditioned on the observed data. Appropriate choices of the policy parameterization and of the prior covariance (kernel) between action-values yield closed-form expressions for the posterior of the gradient of the expected return with respect to the policy parameters. We perform detailed experimental comparisons of the proposed Bayesian policy gradient and actor-critic algorithms with classic Monte-Carlo based policy gradient methods, on a number of reinforcement learning problems.
Authors: Branislav Kveton, Michal Valko
Abstract: Face recognition from a single image per person is a challenging problem because the training sample is extremely small. We consider a variation of this problem. In our problem, we recognize only one person, and there are no labeled data for any other person. This setting naturally arises in authentication on personal computers and mobile devices, and poses additional challenges because it lacks negative examples. We formalize our problem as one-class classification, and propose and analyze an algorithm that learns a non-parametric model of the face from a single labeled image and a stream of unlabeled data. In many domains, for instance when a person interacts with a computer with a camera, unlabeled data are abundant and easy to utilize. This is the first paper that investigates how these data can help in learning better models in the single-image-per-person setting. Our method is evaluated on a dataset of 43 people and we show that these people can be recognized 90% of time at nearly zero false positives. This recall is 25+% higher than the recall of our best performing baseline. Finally, we conduct a comprehensive sensitivity analysis of our algorithm and provide a guideline for setting its parameters in practice.
Authors: Zhenzhou Jin, Li You, Xiang-Gen Xia, Xiqi Gao
Abstract: Channel fingerprint (CF) is considered a key enabler for facilitating the acquisition of channel state information (CSI) in massive multiple-input multiple-output (MIMO) communication systems. In this work, we investigate a novel type of CF that stores statistical CSI (sCSI) at each potential location, referred to as statistical CF (sCF). Specifically, we reveal the relationship between sCSI, namely the channel spatial covariance matrix (CSCM), and the channel power angular spectrum (CPAS). Building on this foundation, we construct a unified tensor representation of the sCF and further reduce its dimension by exploiting the eigenvalue decomposition of the CSCM and its correlation with the PAS. Considering the practical constraints imposed by measurement cost, privacy, and security, we focus on three representative scenarios and uniformly formulate them as tensor restoration tasks. To this end, we propose a unified tensor-based learning architecture, termed LPWTNet. The architecture incorporates a closed-form Laplacian pyramid (LP) decomposition and reconstruction framework that replaces the traditional encoder-decoder structure, enabling efficient inference while capturing multi-scale frequency subband characteristics of the sCF. Additionally, a shared mask learning strategy is introduced to adaptively refine high-frequency sCF components through level-wise adjustments. To achieve a larger receptive field without over-parameterization, we further propose a small-kernel convolution mechanism based on the wavelet transform (WT), which decouples convolution across different frequency components of the sCF and enhances feature extraction efficiency. Extensive experiments show that the proposed approach delivers competitive reconstruction accuracy and computational efficiency across various sCF construction scenarios when compared with state-of-the-art baselines.
Authors: Gaurang Sharma, Juha Pajula, Aada Illikainen, Markus Rautell, Noora Lipsonen, Petri Alhainen, Mika Hilvo
Abstract: Protecting sensitive health data while enabling collaborative analysis is a central challenge in healthcare. Traditional machine learning (ML) requires institutions to pool anonymized patient records, centralizing analytical development and privacy risks at a single site. Privacy-enhancing technologies (PETs), including Differential Privacy (DP) and Homomorphic Encryption (HE), can mitigate these risks. However, they are mainly studied in conventional data-sharing settings and often introduce trade-offs, including reduced model utility, higher computational cost, and increased implementation complexity. Federated Learning (FL) reduces data centralization by enabling institutions to train models locally and share only model updates. Nevertheless, FL does not eliminate privacy risks, as shared parameters or gradients may still reveal sensitive information. Integrating DP or HE into FL can strengthen privacy guarantees, yet their comparative performance and deployment implications in real-world healthcare settings remain unclear. We systematically evaluated DP and HE integration in FL under real-world conditions, comparing them with standard FL and centralized ML (cML) to quantify privacy-utility trade-offs in multi-institutional settings. Using nationwide Swedish healthcare data, we evaluated cardiovascular disease risk prediction using logistic regression (LR) and neural network (NN) learners. FL with HE achieved performance comparable to cML but introduced measurable cryptographic overhead, particularly in the NN implementation. FL with DP incurred lower computational cost; however, LR was more sensitive to calibrated noise than the NN, resulting in greater performance degradation. Our findings provide practical guidance for deploying privacy-preserving FL in fragmented healthcare systems.
Authors: Al Zadid Sultan Bin Habib, Tanpia Tasnim, Md. Ekramul Islam, Muntasir Tabasum
Abstract: Learning informative representations from tabular data in remote sensing and environmental science is challenging due to heterogeneity, scarce labels, and redundancy among features. We present ZAYAN (Zero-Anchor dYnamic feAture eNcoding), a self-supervised, feature-centric contrastive framework for tabular data. ZAYAN performs contrastive learning at the feature rather than sample level, removing the need for explicit anchor selection and any reliance on class labels, while encouraging a redundancy-minimized, disentangled embedding space. The framework has two modules: ZAYAN-CL, which pretrains feature embeddings via a zero-anchor contrastive objective with dynamic perturbations and masking, and ZAYAN-T, a Transformer that conditions on these embeddings for downstream classification. Across eight datasets, including six remote-sensing tabular benchmarks and two remote-sensing-driven flood-prediction tables from satellite and GIS products, ZAYAN achieves superior accuracy, robustness, and generalization over tabular deep learning baselines, with consistent gains under label scarcity and distribution shift. These results indicate that feature-level contrastive learning and dynamic feature encoding provide an effective recipe for learning from tabular sensing data.
Authors: Yan Lin, Jilin Hu, N. M. Anoop Krishnan, Morten M. Smedskjaer
Abstract: Amorphous (disordered) materials are solids that have shown great potential in various domains, including energy storage, thermal management, and advanced materials. Unlike crystalline materials that can be described by unit cells containing a few to hundreds of atoms, amorphous materials require larger simulation cells with at least hundreds to thousands of atoms. To advance the design of amorphous materials with desired properties and facilitate the exploration of their vast design space, generative inverse design has emerged as a promising approach. It aims to directly output materials with properties closely aligned with the desired ones using probabilistic generative models conditioned on desired properties, which can be more resource efficient than the traditional trial-and-error approach. However, due to the inherent stochasticity of probabilistic generative models, when element assignments are unconstrained, a large portion of generated materials may be charge unbalanced, and no existing methods can effectively mitigate this limitation. In this work, we propose AMGenC, a new generative inverse design method for amorphous materials that can guarantee the generation of charge balanced samples, with minimal additional computational overhead and without sacrificing inverse design accuracy. AMGenC achieves this through an element noise that gives the generation process a starting point centered around charge balance, and the combination of a per-step soft projection and a final discrete projection for steering the elements toward exact charge balance throughout the generation. We perform extensive experiments on two amorphous materials datasets. Experimental results provide evidence that AMGenC achieves its design goal.
Authors: Daisy R Bradley, Elizabeth J Cross
Abstract: Machine learning continues to emerge as an important tool to be utilised within structural engineering and structural health monitoring, due to its ability to accurately and quickly perform both regression and classification tasks. However, a purely data driven approach has its limitations, particularly where we lack data from relevant environmental and operational conditions, a situation that has led to the development of physics-informed machine learners for structural health monitoring. These "grey-box" models take into account the physical insight that an engineer would have about the structure they are modelling and have shown promising results in the structural engineering field among many others. This work compares black and grey-box models through a "green" lens, comparing them in terms of their environmental impact, and investigating how the high extrapolative performance of grey-box models can reduce their runtimes and therefore carbon emissions. The authors aim to develop physics-informed models with reduced computational costs, while maintaining high performance, illustrated through a structural health monitoring case study.
Authors: Chengcao Yang, Jun Chen
Abstract: We propose a paradigm shift from learning to answer to learning to question: can a language model generate verifiable problems, solve them, and turn the resulting feedback into self-improvement without human supervision? We introduce ANCORA, an anchored-curriculum framework in which a unified policy alternates between a Proposer that synthesizes novel specifications and a Solver that produces verified solutions. ANCORA rests on three load-bearing mechanisms: a two-level group-relative update that couples Proposer advantages across specifications with Solver advantages across solution attempts; iterative self-distilled SFT that projects the base model onto its valid-output manifold before RL; and a UCB-guided Curriculum DAG that grows only through strictly filtered, novel, Solver-verified specifications. These stabilizers are necessary because sparse verifier feedback otherwise drives Proposer collapse even under MLRL-aligned rewards. Instantiated in Verus, ANCORA lifts Dafny2Verus pass@1 from a 26.6% SFT baseline to 81.5% in the test-time-training setting under 0-shot evaluation, outperforming the PSV self-play baseline by 15.8 points despite PSV using 1-shot inference; in a separate transfer setting, training from Dafny2Verus seeds yields 36.2% and 17.2% pass@1 on held-out MBPP and HumanEval.
Authors: Kathrin Korte, Joachim Winter Pedersen, Eleni Nisioti, Sebastian Risi
Abstract: To preserve previously learned representations, continual learning systems must strike a balance between plasticity, the ability to acquire new knowledge, and stability. This stability-plasticity dilemma affects how representations can be reused across tasks: shared structure enables transfer when tasks are similar but may also induce interference when new learning disrupts existing representations. However, it remains unclear when and why structural separation influences this trade-off. In this study, we examine how network architecture, task similarity, and representational dimensionality jointly shape learning in a sequential task paradigm inspired by transfer-interference studies. We compare a task-partitioned modular recurrent network with a single-module baseline by systematically varying task similarity (low, medium, high) and the scale of weight initialization, which induces different learning regimes that we empirically characterize through the effective dimensionality of the learned representations. We find that architecture has minimal impact in high-dimensional regimes where representations are sufficiently unconstrained to accommodate multiple tasks without strong interference. In contrast, in lower-dimensional (rich) regimes, architectural separation is decisive: modular networks exhibit graded alignment of task-specific subspaces with overlap for similar tasks, partial orthogonalization for moderately dissimilar tasks, and stronger separation for dissimilar tasks. This graded geometry is absent in the single network baseline. Our findings suggest that representational dimensionality acts as a key organizing variable governing when structural separation becomes functionally relevant, and highlight adaptive geometry as a central principle for designing continual learning systems.
Authors: Corinna Cortes, Anqi Mao, Mehryar Mohri, Yutao Zhong
Abstract: Learning algorithms can be significantly improved by routing complex or uncertain inputs to specialized experts, balancing accuracy with computational cost. This approach, known as learning to defer, is essential in domains like natural language generation, medical diagnosis, and computer vision, where an effective deferral can reduce errors at low extra resource consumption. However, the two-stage learning to defer setting, which leverages existing predictors such as a collection of LLMs or other classifiers, often faces challenges due to an expert imbalance problem. This imbalance can lead to suboptimal performance, with deferral algorithms favoring the majority expert. We present a comprehensive study of two-stage learning to defer in expert imbalance settings. We cast the deferral loss optimization as a novel cost-sensitive learning problem over the input-expert domain. We derive new margin-based loss functions and guarantees tailored to this setting, and develop novel algorithms for cost-sensitive learning. Leveraging these results, we design principled deferral algorithms, MILD (Margin-based Imbalanced Learning to Defer), specifically suited for expert imbalance settings. Extensive experiments demonstrate the effectiveness of our approach, showing clear improvements over existing baselines on both image classification and real-world Large Language Model (LLM) routing tasks.
Authors: Mehryar Mohri, Yutao Zhong
Abstract: Preference learning has become the foundation of aligning Large Language Models (LLMs) with human intent. Popular methods, such as Direct Preference Optimization (DPO), minimize surrogate losses as proxies for the intractable pairwise ranking loss. However, we demonstrate that for the equicontinuous hypothesis sets typical of neural networks, these standard surrogates are theoretically inconsistent, yielding vacuous generalization guarantees. To resolve this, we formulate LLM alignment within a margin-shifted ranking framework. We derive rigorous $H$-consistency bounds that depend on enforcing a separation margin $\gamma$. Crucially, we extend this to Structure-Aware $H$-consistency, introducing a novel objective (SA-DPO) that adapts the margin based on the semantic distance between responses to handle synonyms and hard pairs. Finally, we analyze the trade-off between consistency and model limitations via the Margin-Capacity Profile, proving that heavy-tailed surrogates (such as the Polynomial Hinge family) offer superior consistency guarantees for capacity-bounded models compared to the standard logistic loss used in DPO.
Authors: Sascha Xu, Jilles Vreeken
Abstract: We study the problem of understanding where two populations differ within a feature space, which we formalize in the concept of a differential subgroup: a subset of individuals from both populations who, despite sharing similar characteristics, exhibit exceptional differences in a target outcome. Differential subgroups reveal the regions of the feature space where population-level gaps are most pronounced and can help practitioners identify the covariate combinations that are structurally responsible for these differences, e.g.~in clinical analysis, model diagnostics, or treatment-effect studies. We introduce a general optimization objective for discovering differential subgroups and establish conditions under which the resulting subgroups admit a causal interpretation of population differences. We propose DiffSub, a gradient-based approach that discovers interpretable differential subgroups in tabular data. Across synthetic benchmarks, medical case studies, model-error analyses, and treatment-effect settings, DiffSub identifies informative subgroups that reveal where population differences arise and why.
Authors: Mehryar Mohri, Yutao Zhong
Abstract: The choice of loss function in classification involves a fundamental trade-off: smooth losses (like Cross-Entropy) enable fast optimization rates but yield slow square-root consistency bounds, while piecewise-linear losses (like Hinge) offer fast linear consistency rates but suffer from non-differentiability. We propose Linear-Core (LC) Surrogates, a new family of convex loss functions that resolve this tension by stitching a linear core to a smooth tail. We prove that these surrogates are differentiable everywhere while retaining strict linear $H$-consistency bounds, effectively combining the optimization benefits of smoothness with the statistical efficiency of margin-based losses. In the structured prediction setting, we show that this smoothness unlocks a massive computational and energy advantage: it allows for an unbiased stochastic gradient estimator that bypasses the quadratic complexity $O(|\mathscr{Y}|^2)$ of exact inference (e.g., Viterbi). Empirically, our method achieves a 23$\times$ speedup over Structured SVMs on large-vocabulary sequence tagging tasks and demonstrates superior robustness to instance-dependent label noise, outperforming Cross-Entropy by 2.6% on corrupted CIFAR-10.
Authors: Chendi Qian, Christopher Morris
Abstract: Semidefinite programs (SDPs) are a powerful framework for convex optimization and for constructing strong relaxations of hard combinatorial problems. However, solving large SDPs can be computationally expensive, motivating the use of machine learning models as fast computational surrogates. Graph neural networks (GNNs) are a natural candidate in this setting due to their sparsity-awareness and ability to model variable-constraint interactions. In this work, we study what expressive power is sufficient to recover optimal SDP solutions. We first prove negative results showing that standard GNN architectures fail on recovering linear SDP solutions. We then identify a more expressive architecture that captures the key structure of SDPs and can, in particular, emulate the updates of a standard first-order solver. Empirically, on both synthetic and \textsc{SdpLib} benchmarks of various classes of SDPs, this more expressive architecture achieves consistently lower prediction error and objective gap than theoretically weaker baselines. Finally, using the learned high-quality predictions to warm-start the first-order solver yields practical speedups of up to 80%.
Authors: Jonas Teufel, Luca Torresi, Andr\'e Eberhard, Pascal Friederich
Abstract: Computational molecular representations underpin virtual screening, property prediction, and materials discovery. Conventional fingerprints are efficient and deterministic but lose structural information through hash-based compression, particularly at low dimensionalities. Learned representations from graph neural networks recover this expressiveness but require task-specific training and substantial computational resources. Here we introduce hyperdimensional fingerprints (HDF), which replace the learned transformations of message-passing neural networks with algebraic operations on high-dimensional vectors, producing deterministic molecular representations without any training. Across diverse property prediction benchmarks, HDF outperforms conventional fingerprints in the majority of tasks while exhibiting greater consistency across datasets and models. Crucially, HDF embeddings preserve molecular similarity faithfully: at 32 dimensions, distances in HDF space achieve a 0.9 Pearson correlation with graph edit distance, compared to 0.55 for Morgan fingerprints at equivalent size. This structural fidelity persists at low dimensions where hash-based methods degrade, allowing simple nearest-neighbor regression to remain predictive with as few as 64 components. We further demonstrate the practical impact in Bayesian molecular optimization, where HDF-based surrogate models achieve substantially improved sample efficiency in regimes where Morgan fingerprints perform comparably to random search. HDF thus provides a general-purpose, training-free alternative to conventional molecular fingerprints, suggesting that the information loss long accepted as inherent to fixed-length fingerprints is a limitation of the hash-based encoding scheme rather than the fingerprint paradigm itself.
Authors: Christian Kl\"otergens, Vijaya Krishna Yalavarthi, Lars Schmidt-Thieme
Abstract: Joint probabilistic modeling is essential for forecasting irregular multivariate time series (IMTS) to accurately quantify uncertainty. Existing approaches often struggle to balance model expressivity with consistent marginalization, frequently leading to unreliable or contradictory forecasts. To address this, we propose CircuITS, a novel architecture for probabilistic IMTS forecasting based on probabilistic circuits. Our model is flexible in capturing intricate dependencies between time series channels while structurally guaranteeing valid joint distributions. Experiments on four real world datasets demonstrate that CircuITS achieves superior joint and marginal density estimation compared to state of the art baselines.
Authors: Bokai Pan, Mingyue Cheng, Zhiding Liu, Shuo Yu, Xiaoyu Tao, Yuchong Wu, Qi Liu, Defu Lian, Enhong Chen
Abstract: Recently, large language models (LLMs) have shown great promise in time series forecasting. However, most existing LLM-based forecasting methods still follow a static generative paradigm that directly maps historical observations to future values in a single pass. Under this paradigm, forecasting is constrained by limited temporal pattern extraction, single-round acquisition of contextual features, one-shot forecast generation, and lack of support from ensemble forecasts. To address these limitations, in this work, we propose CastFlow, a dynamic agentic forecasting framework that enables multi-view temporal pattern extraction, multi-round contextual features acquisition, iterative forecast refinement, and forecasting with ensemble forecasts. First, CastFlow organizes the forecasting process into planning, action, forecasting, and reflection, establishing an agentic workflow. Second, this workflow is supported by a memory module that retrieves prior experience and a multi-view toolkit that constructs diagnostic evidence and provides a reliable ensemble forecast baseline. Third, CastFlow adopts a role-specialized design that combines general-purpose reasoning with specialized numerical forecasting. Under this design, a frozen LLM preserves general-purpose reasoning, while a fine-tuned domain-specific LLM performs evidence-guided numerical forecasting based on the ensemble forecast baseline, rather than from scratch. To optimize a fine-tuned domain-specific LLM, we further develop a two-stage workflow-oriented training that combines supervised fine-tuning (SFT) and reinforcement learning with verifiable rewards (RLVR). To evaluate the effectiveness of CastFlow, we conduct extensive experiments on diverse datasets and show that it achieves superior overall results against strong baselines. We hope that this work can serve as a step toward more adaptive and accurate time series forecasting.
Authors: Logan G Wright, Tianyu Wang, Tatsuhiro Onodera, Peter L. McMahon
Abstract: Foundation models are deep neural networks (such as GPT-5, Gemini~3, and Opus~4) trained on large datasets that can perform diverse downstream tasks -- text and code generation, question answering, summarization, image classification, and so on. The philosophy of foundation models is to put effort into a single, large (${\sim}10^{12}$-parameter) general-purpose model that can be adapted to many downstream tasks with no or minimal additional training. We argue that the rise of foundation models presents an opportunity for hardware engineers: in contrast to when different models were used for different tasks, it now makes sense to build special-purpose, fixed hardware implementations of neural networks, manufactured and released at the roughly 1-year cadence of major new foundation-model versions. Beyond conventional digital-electronic inference hardware with read-only weight memory, we advocate a more radical re-thinking: hardware in which the neural network is realized directly at the level of the physical design and operates via the hardware's natural physical dynamics -- \textit{Physical Foundation Models} (PFMs). PFMs could enable orders-of-magnitude advantages in energy efficiency, speed, and parameter density. For ${\sim}10^{12}$-parameter models, this would both reduce the high energy burden of AI in datacenters and enable AI in edge devices that today are power-constrained to far smaller models. PFMs could also enable inference hardware for models much larger than current ones: $10^{15}$- or even $10^{18}$-parameter PFMs seem plausible by some measures. We present back-of-the-envelope calculations illustrating PFM scaling using an optical example -- a 3D nanostructured glass medium -- and discuss prospects in nanoelectronics and other physical platforms. We conclude with the major research challenges that must be resolved for trillion-parameter PFMs and beyond to become reality.
Authors: Eklavya Sarkar, Marius Miron, David Robinson, Gagan Narula, Milad Alizadeh, Ellen Gilsenan-McMahon, Emmanuel Chemla, Olivier Pietquin, Matthieu Geist
Abstract: Animals hear and vocalize across frequency ranges that differ substantially from humans, often extending into the ultrasonic domain. Yet most computational bioacoustics systems rely on audio models pre-trained at 16 kHz, restricting their usable bandwidth to the 0-8 kHz baseband and discarding higher-frequency information present in many bioacoustic recordings. We investigate a multi-band encoding framework that decomposes the full spectrum of animal calls into band features and fuses them into a unified representation. Similarity analyses on models show that certain encoders produce decorrelated band embeddings that improve class separation after fusion. Classification experiments on three bioacoustic datasets using eight pre-trained models and five fusion strategies show that fused representations consistently outperform the baseband and time-expansion baselines on two datasets, showing the potential of multi-band methods for full-spectrum encoding of animal calls.
Authors: Mark C. Ballandies, Michael T. C. Chiu, Claudio J. Tessone
Abstract: Large-scale IoT weather sensing networks require incentive mechanisms to sustain participation, yet determining how much value individual data contributions bring to the network remains an open problem. Existing approaches address data quality but not data valuation; in operational meteorology, adjoint-based methods derive value from the forecast model itself but require full data assimilation infrastructure. We propose to utilise differentiable AI weather models to fill this gap and characterise gradient-based attribution on gridded GFS analysis inputs as a candidate value signal, evaluating fidelity, calibration, cost, and gaming vulnerability across more than 400 configurations. Attribution captures near-optimal sensor placement utility with monotonically faithful payments, but can be inflated by adversarial inputs, with detection requiring external baseline data. These findings establish gradient attribution as a computationally validated signal for model-informed reward allocation in participatory weather sensing.
Authors: Ivan Lerner, Jean Feydy, Alexandre Kalimouttou, Anita Burgun, Francis Bach
Abstract: Background: Timely, uncertainty-aware forecasting from irregular electronic health records (EHR) can support critical-care decisions, yet most approaches either impute to a grid or sacrifice interpretability. We introduce StructGP, a continuous-time multi-task Gaussian process that couples process convolutions with differentiable structure learning to uncover a sparse, ordered directed acyclic graph (DAG) of inter-variable dependencies while preserving principled uncertainty. We further propose LP-StructGP, which augments StructGP with latent pathways-shared, temporally shifted trajectories inferred via subject-specific coupling filters and a softmax gating mechanism-to capture cross-patient progression patterns. Both models are trained under sparsity and acyclicity constraints (augmented Lagrangian, Adam) using scalable low-rank updates. Results: In simulations, the approach reliably recovers ground-truth graphs (Structural Hamming Distance approaching 0 as cohorts grow) and pathway assignments (high Adjusted Rand Index). On a MIMIC-IV septic shock cohort (n=1,008; norepinephrine, creatinine, mean arterial pressure), StructGP improves short-horizon (6 h) forecasting over independent-task baselines (average RMSE 0.68 [95%CI: 0.63--0.74] vs. 0.88 [0.83-0.94]) and, with 15 additional inputs, markedly outperforms unstructured kernels (0.63 [0.58-0.69] vs. 3.02 [2.85-3.18]) with superior calibration (coverage 0.96 vs. 0.84). On the PhysioNet Challenge (12k patients, 41 variables), StructGP attains competitive accuracy (MAE 3.72e-2) relative to a state-of-the-art graph neural model while maintaining calibrated uncertainty. Conclusion: These results show that structured process convolutions with latent pathways deliver interpretable, scalable, and well-calibrated forecasting for irregular clinical time series.
Authors: Pourya Zamanvaziri, Amirhossein Sadr, Aida Pakniyat, Dara Rahmati
Abstract: Multivariate time series forecasting plays a pivotal role in numerous real-world applications, including financial analysis, energy management, and traffic planning. While Transformer-based architectures have gained popularity for this task, recent studies reveal that simpler MLP-based models can achieve competitive or superior performance with significantly reduced computational cost. In this paper, we propose ITS-Mina, a novel all-MLP framework for multivariate time series forecasting that integrates three key innovations: (1) an iterative refinement mechanism that progressively enhances temporal representations by repeatedly applying a shared-parameter residual mixer stack, effectively deepening the model's computational capacity without multiplying the number of distinct parameters; (2) an external attention module that replaces traditional self-attention with learnable memory units, capturing cross-sample global dependencies at linear computational complexity; and (3) a Harris Hawks Optimization (HHO) algorithm for automatic dropout rate tuning, enabling adaptive regularization tailored to each dataset. Extensive experiments on six widely-used benchmark datasets demonstrate that ITS-Mina achieves state-of-the-art or highly competitive performance compared to eleven baseline models across multiple forecasting horizons.
Authors: Nghia Bui, Lijing Wang
Abstract: Fine-tuning pretrained models has become a standard approach to adapting pretrained knowledge to improve the accuracy on new sparse, imbalance datasets. However, issues arise when optimization falls into a collapsed state, where the model gets stuck, leading to degraded performance and unstable training. One possible reason for this is the cancellation of gradients across training examples. To address this problem, we propose a novel algorithm, dynamic scaled gradient descent (\mName), that directly modifies the gradients returned by training examples, specifically, scaling down the gradients of correctly classified examples using a dynamic scaler. This strategy offers both theoretical and empirical advantages in improving training stability. Experiments on a variety of benchmark datasets, spanning multiple tasks and large pretrained models, demonstrate that our method consistently reduces performance variance and surpasses the accuracy of existing approaches.
Authors: Jingcheng Deng, Zihao Wei, Liang Pang, Junhong Wu, Shicheng Xu, Zenghao Duan, Huawei Shen
Abstract: Latent reasoning offers a more efficient alternative to explicit reasoning by compressing intermediate reasoning into continuous representations and substantially shortening reasoning chains. However, existing latent reasoning methods mainly focus on supervised learning, and reinforcement learning in latent space remains highly unstable. We study this problem through the lens of Group Relative Policy Optimization (GRPO), and show that directly adapting GRPO to latent reasoning is fundamentally non-trivial: latent reasoning changes both the probability density and the sampling mechanism, causing three coupled bottlenecks: absence of intrinsic latent manifolds, where unconstrained exploration pushes rollouts off the valid latent manifold; exploration-optimization misalignment, where trajectory-level rewards can induce incorrect token-level updates; and latent mixture non-closure, where jointly reinforcing multiple correct latent paths can produce an invalid averaged state. To address them, we propose \textbf{Latent-GRPO}, which combines invalid-sample advantage masking, one-sided noise sampling, and optimal correct-path first-token selection. Across four low-difficulty benchmarks (e.g., GSM8K-Aug) and four high-difficulty benchmarks (e.g., AIME), Latent-GRPO improves over its latent initialization by 7.86 Pass@1 points on low-difficulty tasks and surpasses explicit GRPO by 4.27 points on high-difficulty tasks while using 3--4$\times$ shorter reasoning chains. It also achieves stronger pass@$k$ performance under Gumbel sampling. These results establish Latent-GRPO as an effective approach for stable and efficient latent reasoning.
Authors: Shijin Gong, Kai Ye, Jin Zhu, Xinyu Zhang, Hongyi Zhou, Chengchun Shi
Abstract: Recent advances in large language models (LLMs) have increasingly relied on reinforcement learning (RL) to improve their reasoning capabilities. Three approaches have been widely adopted: (i) Proximal policy optimization and advantage actor-critic rely on a deep neural network to estimate the value function of the learning policy in order to reduce the variance of the policy gradient. However, estimating and maintaining such a value network incurs substantial computational and memory overhead. (ii) Group relative policy optimization (GRPO) avoids training a value network by approximating the value function using sample averages. However, GRPO samples a large number of reasoning traces per prompt to achieve accurate value function approximation, making it computationally expensive. (iii) REINFORCE-type algorithms sample only a single reasoning trajectory per prompt, which reduces computational cost but suffers from poor sample efficiency. In this work, we focus on a practical, resource-constrained setting in which only a small number of reasoning traces can be sampled per prompt, while low-variance gradient estimation remains essential for high-quality policy learning. To address this challenge, we bring classical nonparametric statistical methods, which are both computationally and statistically efficient, to LLM reasoning. We employ kernel smoothing as a concrete example for value function estimation and the subsequent policy optimization. Numerical and theoretical results demonstrate that our proposal achieves accurate value and gradient estimation, leading to improved policy optimization.
Authors: Prabhjot Singh, Abhishek Gupta, Chris Betz, Abe Flansburg, Brett Ives, Sudeep Lama, Jung Hoon Son
Abstract: We reframe clinician overrides of clinical AI recommendations as implicit preference data - the same signal structure exploited by reinforcement learning from human feedback (RLHF), but richer: the annotator is a domain expert, the alternatives carry real consequences, and downstream outcomes are observable. We present a formal framework extending standard preference learning with three contributions: a five-category override taxonomy mapping override types to distinct model update targets; a preference formulation conditioned on patient state s, organizational context c, and clinician capability kappa, where kappa decomposes into execution capability kappa-exec and alignment capability kappa-align; and a dual learning architecture that jointly trains a reward model and a capability model via alternating optimization, preventing a failure mode we term suppression bias-the systematic suppression of correct-but-difficult recommendations when clinician capability falls below the execution threshold. We argue that chronic disease management under outcome-based payment contracts produces override data with uniquely favorable properties-longitudinal density, concentrated decision space, outcome labels, and natural capability variation-and that training environments combining longitudinal outcome measurement with aligned financial incentives are a necessary condition for learning a reward model aligned with patient trajectory rather than with encounter economics. This framework emerged from operational work to improve clinician capability in a live value-based care deployment.
Authors: Clara Mohri, Amir Globerson, Haim Kaplan, Tomer Koren, Yishay Mansour
Abstract: We consider the problem of Cost-Aware Learning, where sampling different component functions of a finite-sum objective incurs different costs. The objective is to reach a target error while minimizing the total cost. First, we propose the Cost-Aware Stochastic Gradient Descent algorithm for convex functions, and derive its cost complexity to attain an error of $\epsilon$. Furthermore, we establish a lower bound for this setting and provide a subset selection algorithm to further reduce the cost of training. We apply our theoretical insights to reinforcement learning with language models, where the computational cost of policy gradients varies with sequence length. To this end, we introduce Cost-Aware GRPO, an algorithm designed to reduce the cost of policy optimization while preserving performance. Empirical results on 1.5B and 8B LLMs demonstrate that our approach reduces the tokens used in policy optimization by up to about 30% while matching or exceeding baseline accuracy.
Authors: Zhiqiang Kou, Junxiang Wu, Wenke Huang, Wenwen He, Ming-Kun Xie, Changwei Wang, Yuheng Jia, Di Jiang, Yang Liu, Xin Geng, Qiang Yang
Abstract: Federated Multi-Label Learning is a distributed paradigm where multiple clients possess heterogeneous multi-label data and perform collaborative learning under privacy constraints without sharing raw data. However, modeling label correlations under heterogeneous distributions remains challenging. Due to client-specific label spaces and varying co-occurrence patterns, correlations learned by individual clients inevitably deviate from the global structure, a phenomenon we term label correlation drift. To address this, we propose FedHarmony, a framework that harmonizes heterogeneous label correlations across clients. It introduces consensus correlation, capturing agreement among other clients and serving as a global teacher to correct biased local estimates. During aggregation, FedHarmony evaluates each client by both data size and correlation quality, assigning weights accordingly. Moreover, we develop an accelerated optimization algorithm for FedHarmony and theoretically establish faster convergence without sacrificing accuracy. Experiments on real-world federated multi-label datasets show that FedHarmony consistently outperforms state-of-the-art methods.
Authors: Jeanne Monnier, Thomas George, Fr\'ed\'eric Guyard, Christ\`ele Tarnec, Marios Kountouris
Abstract: Fairness in machine learning remains challenging due to its ethical complexity, the absence of a universal definition, and the need for context-specific bias metrics. Existing methods still struggle with intersectionality, multiclass settings, and limited flexibility and generality. To address these gaps, we introduce MIFair, a unified framework for bias assessment and mitigation based on mutual information. MIFair provides a flexible metric template and an in-processing mitigation method inspired by the Prejudice Remover, defining group fairness as statistical independence between prediction-derived variables and sensitive attributes. We further strengthen its information-theoretic foundation by establishing equivalences with widely used fairness notions such as independence and separation. MIFair naturally supports intersectionality, complex subgroup structures, and multiclass classification and employs regularization-based training to reduce bias according to the selected metric. Its key advantage is its versatility: it consolidates diverse fairness requirements into a single coherent framework, enabling consistent benchmarking and simplifying practical use. Experiments on real-world tabular and image datasets show that MIFair effectively reduces bias, including previously unaddressed multi-attribute scenarios, while maintaining strong predictive performance across the evaluated settings.
Authors: Shun Takagi, Seng Pei Liew
Abstract: We study $d$-dimensional unbiased mean estimation in the single-message shuffle model, where each user sends a single privatized message and the analyzer only observes the shuffled multiset of reports. While minimax-optimal mechanisms are well understood in the local differential privacy setting, the corresponding notion of optimality after shuffling has remained largely unexplored. To address this gap, we introduce the recently proposed shuffle index and use it to formulate the post-shuffling mechanism design problem as an explicit optimization problem. We then establish a minimax lower bound on the achievable mean squared error in terms of the shuffle index, which implies that mechanisms that are optimal under LDP can become suboptimal once shuffling is applied. Finally, we construct an asymptotically minimax optimal mechanism in the high privacy regime, which as a consequence achieves a privacy-utility trade-off nearly identical to that of the central Gaussian mechanism.
Authors: Marc Dymetman
Abstract: Exponential families encompass the distributions central to modern machine learning -- softmax, Gaussians, and Boltzmann distributions -- and underlie the theory of variational inference, entropy-regularized reinforcement learning, and RLHF. We isolate a simple identity for exponential families that expresses the KL difference $\mathrm{KL}(q \| p_{\lambda_2}) - \mathrm{KL}(q \| p_{\lambda_1})$ in terms of the log-partition function $A(\lambda)$ and the moment $\mu_q$. Remarkably, this identity together with the single fact that $\mathrm{KL} \geq 0$ (with equality iff $p = q$) suffices, by direct substitution and rearrangement, to derive a cluster of results that are classically obtained by separate, heavier arguments: a generalized three-point identity for arbitrary reference distributions, Pythagorean theorems for I-projections and reverse I-projections, convexity of the log-partition function, identification of its Legendre dual in KL terms, the Gibbs variational principle, and the explicit optimizer in KL-regularized reward maximization, including the exponential tilting formula underlying entropy-regularized control and RLHF. Beyond these purely algebraic consequences, standard analytic arguments recover the gradient formula for the log-partition function, the Bregman representation of within-family KL divergence, and the surjectivity of the moment map. The note is self-contained.
Authors: Eduard Buss, Till Aust, Heiko Hamann
Abstract: Purpose: Fast detection of plant stress is key to plant phenotyping, precision agriculture, and automated crop management. In particular, efficient irrigation management requires early identification of water stress to optimize resource use while maintaining crop performance. Direct physiological sensing offers the potential to detect stress responses before visible symptoms appear. Methods: In this study, we recorded electrophysiological signals from greenhouse-grown tomato plants subjected to water stress and developed a framework based on machine learning for online stress detection. The recorded time-series data were processed using a processing pipeline that includes statistical feature extraction and selection, automated machine learning or alternatively deep learning, and probability calibration. Results: Across multiple input time horizons, we found that a 30-minute look-back window strikes the best balance between rapid decision-making and classification performance. Using automated machine learning, the framework achieved classification accuracies of up to 92%, outperforming deep learning approaches. Sequential backward selection reduced the feature set while maintaining performance. Importantly, the framework detects transitions from healthy to stressed states in recordings that were not included in the training set. Conclusion: Overall, we provide a decision-support tool for farmers and establish a foundation for biofeedback-driven irrigation control to improve resource efficiency in (semi-)autonomous crop production systems.
Authors: Qing Lyu, Jeremy Hudson, Mohammad Kawas, Yuming Jiang, Chenyu You, Christopher T Whitlow
Abstract: Individualized Alzheimer's disease (AD) progression prediction requires models that use irregular visits, account for censoring, avoid diagnostic leakage, and provide calibrated horizon risks. We propose PROgression-aware MultI-horizon Survival Estimation for Alzheimer's Disease (PROMISE-AD), a leakage-safe survival framework for predicting conversion from cognitively normal (CN) to mild cognitive impairment (MCI) and from MCI to AD dementia using ADNI/TADPOLE tabular histories. PROMISE-AD converts pre-index visits into tokens with standardized measurements, missingness masks, longitudinal changes, time-normalized slopes, visit timing, and non-diagnostic categorical attributes. A temporal Transformer fuses global, attention-pooled, and latest-visit representations to estimate a progression score and latent discrete-time mixture hazards. Training combines survival likelihood, horizon-specific focal risk loss, progression ranking, hazard smoothness, and mixture-balance regularization, followed by validation-set isotonic calibration for 1-, 2-, 3-, and 5-year risks. In held-out testing across three seeds, PROMISE-AD achieved an integrated Brier score (IBS) of 0.085 $\pm$ 0.012, C-index of 0.808 $\pm$ 0.015, and mean time-dependent AUC of 0.840 $\pm$ 0.081 for CN-to-MCI conversion, yielding the lowest IBS among compared methods. For MCI-to-AD conversion, PROMISE-AD achieved the highest C-index (0.894 $\pm$ 0.018) and near-ceiling 5-year discrimination (AUROC 0.997 $\pm$ 0.003; AUPRC 0.999 $\pm$ 0.001), although some baselines had lower IBS. Ablations and interpretability supported longitudinal change features, fused temporal representations, mixture hazards, cognitive and functional measures, APOE4 status, and recent conversion-proximal visits. These findings suggest that progression-aware survival modeling can provide interpretable multi-horizon AD conversion risk estimates.
Authors: Sof\'ia P\'erez Casulo, Marcelo Fiori, Bernardo Marenco, Federico Larroca
Abstract: Hyperbolic geometry has emerged as an effective latent space for representing complex networks, owing to its ability to capture hierarchical organization and heterogeneous connectivity patterns using low-dimensional embeddings. As a result, numerous hyperbolic graph representation learning methods have been proposed in recent years. However, their practical adoption and systematic comparison remain challenging, as implementations are fragmented and shared tools for reproducible and fair evaluation are lacking. In this work, we introduce a unified open-source framework for hyperbolic graph representation learning that integrates several widely used embedding methods under a common optimization interface. The novel framework enables consistent training, visualization, and evaluation of hyperbolic embeddings, and interfaces seamlessly with standard network analysis tools. Leveraging this unified setup, we conduct an experimental study of hyperbolic embedding methods on real-world networks, focusing on two canonical downstream tasks: link prediction and node classification. Beyond predictive accuracy, the study offers practical insights into the strengths and limitations of existing approaches, thereby facilitating informed method selection and fostering reproducible research in hyperbolic graph representation learning.
Authors: Arthur Corr\^ea, Paulo Nascimento, Samuel Moniz
Abstract: Solving practical multi-depot vehicle routing problems (MDVRP) is a challenging optimization task central to modern logistics, increasingly driven by e-commerce. To address the MDVRP's computational complexity, neural-based combinatorial optimization methods offer a promising scalable alternative to traditional approaches. However, neural-based methods typically rely on rigid architectures and input encodings tailored to specific problem formulations. In real-world settings, heterogeneous constraints create multiple MDVRP variants, limiting the applicability of such models. While multi-task learning (MTL) has begun to accelerate the development of unified neural-based solvers, prior works focus almost exclusively on single-depot VRPs, leaving the MDVRP unaddressed. To bridge this gap, we propose Feature-wise Linear Modulation for Cross-Problem Multi-Depot Vehicle Routing (FiLMMeD), a novel unified neural-based model for 24 different MDVRP variants. We introduce three main contributions: (1) to improve the model's generalization, we augment the standard Transformer encoder with Feature-wise Linear Modulation (FiLM), which dynamically conditions learned internal representations based on the active set of constraints; (2) we provide an initial demonstration of Preference Optimization in the MTL setting, establishing it as a superior alternative to Reinforcement Learning for future MTL works; (3) to mitigate the generalization gap caused by the introduction of multi-depot constraints, we introduce a targeted curriculum learning strategy that progressively exposes the model to increasingly more complex constraint interactions. Extensive experiments on 24 MDVRP variants (including 8 novel formulations) and 16 single-depot VRPs confirm the effectiveness of FiLMMeD, which consistently outperforms state-of-the-art baselines. Our code is available at: https://github.com/AJ-Correa/FiLMMeD/tree/main
Authors: Akhil Gupta, Erhan Guven
Abstract: Accurate state estimation of nonlinear dynamical systems is fundamental to modern aerospace operations across air, sea, and space domains. Online tracking of adversarial unmanned aerial vehicles (UAVs) is especially challenging due to agile nonlinear motion, noisy and sparse sensor measurements, and unknown control inputs; conditions that violate key assumptions of classical Kalman filter variants and degrade estimation performance. Neural networks (NNs) can learn complex nonlinear relationships from data, but lack principled uncertainty quantification, which is critical for state estimation tasks where confidence bounds drive downstream decisions. We address this with Bayesian Neural Networks (BNNs), which model uncertainty through distributions over network weights and produce predictive means and uncertainties via Monte Carlo sampling. Building on this, we propose the Bayesian Neural Kalman Filter (BNKF): a hybrid framework coupling a trained BNN with a Kalman correction step for robust online UAV state estimation. Unlike related neural Kalman approaches, BNKF produces full state predictions and incorporates Bayesian uncertainty directly into covariance propagation, improving robustness under high noise conditions. We evaluate BNKF under varying radar noise levels and sampling rates using synthetic nonlinear UAV flight data. Five fold cross validation demonstrates that BNKF outperforms Extended and Unscented Kalman Filters in accuracy, precision, and truth containment under degraded sensing. An ensemble variant (BNKFe) further improves precision in high-noise edge cases at a slight accuracy tradeoff. Runtime analysis confirms minimal inference overhead, supporting real-time deployment feasibility.
Authors: Junqi Gao, Dazhi Zhang, Zhichang Guo, Biqing Qi, Yi Ran, Wangmeng Zuo
Abstract: Model merging has attracted attention as an effective path toward multi-task adaptation by integrating knowledge from multiple task-specific models. Among existing approaches, dynamic merging mitigates performance degradation caused by conflicting parameter updates across tasks by flexibly combining task-specific parameters at inference time, thereby maintaining high performance. However, these methods require storing independent parameters for each task, resulting in prohibitive storage overhead. To address this issue, we first experimentally demonstrate that the fine-tuned weight increments (referred to as task vectors) exhibit an impulse-like activation pattern and high robustness to low-bit representations. Driven by this insight, we propose T-Switch, which decomposes task vectors into three compact components: a binary sparse mask, a sign vector, and a scalar scaling factor, achieving high-fidelity approximation at high compression ratios. We then introduce Auto-Switch, a training-free merging scheme that automatically composes task vectors via feature similarity retrieval. Building on this, we develop Auto-Switch, a training-free merging scheme that automatically assembles task vectors through feature similarity retrieval. Furthermore, to transform task vector sparsification and quantization from static rules to adaptive learning, we propose FlexSwitch, a learnable framework which jointly optimizes the compression strategy for each model unit via Learnable Gating Sparsification (LGS) and Bit-width Adaptive Selection (BAS), while employing the Sparsity-Aware Storage Strategy (SASS) to select the optimal storage encoding structure. Finally, by incorporating a K-Nearest Neighbor (KNN) inference scheme with a learnable low-rank metric, we present Auto-FlexSwitch, a dynamic model merging approach that supports highly efficient task vector compression.
Authors: Usha Bhalla, Thomas Fel, Can Rager, Sheridan Feucht, Tal Haklay, Daniel Wurgaft, Siddharth Boppana, Matthew Kowal, Vasudev Shyam, Jack Merullo, Atticus Geiger, Ekdeep Singh Lubana
Abstract: Sparse autoencoders (SAEs) are widely used to extract interpretable features from neural network representations, often under the implicit assumption that concepts correspond to independent linear directions. However, a growing body of evidence suggests that many concepts are instead organized along low-dimensional manifolds encoding continuous geometric relationships. This raises three basic questions: what does it mean for an SAE to capture a manifold, when do existing SAE architectures do so, and how? We develop a theoretical framework that answers these questions and show that SAEs can capture manifolds in two fundamentally different ways: globally, by allocating a compact group of atoms whose linear span contains the entire manifold, or locally, by distributing it across features that each selectively tile a restricted region of the underlying geometry. Empirically, we find that SAEs suboptimally recover continuous structures, mixing the global subspace and local tiling solutions in a fragmented regime we call dilution. This explains why manifold structure is rarely visible at the level of individual concepts and motivates post-hoc unsupervised discovery methods that search for coherent groups of atoms rather than isolated directions. More broadly, our results suggest that future representation learning methods should treat geometric objects, not just individual directions, as the basic units of interpretability.
Authors: Florian Wolf, Ilyas Fatkhullin, Niao He
Abstract: Efficient exploration is a central problem in reinforcement learning and is often formalized as maximizing the entropy of the state-action occupancy measure. While unconstrained maximum-entropy exploration is relatively well understood, real-world exploration is often constrained by safety, resource, or imitation requirements. This constrained setting is particularly challenging because entropy maximization lacks additive structure, rendering Bellman-equation-based methods inapplicable. Moreover, scalable approaches require policy parameterization, inducing non-convexity in both the objective and the constraints. To our knowledge, the only prior model-free policy-gradient approach for this setting under general policy parameterization is due to Ying et al. (2025). Unfortunately, their guarantees are limited to weak regret and ergodic averages, which do not imply that the final output is a single deployable policy that is near-optimal and nearly feasible. In this work we take a different approach to this problem, and propose Policy Gradient Penalty (PGP) method, a single-loop policy-space method that enforces general convex occupancy-measure constraints via quadratic-penalty regularization. PGP constructs pseudo-rewards that yield gradient estimates of the penalized objective, subsequently exploiting the classical Policy Gradient Theorem. We further establish the regularity of the penalized objective, providing the smoothness properties needed to justify the convergence of PGP. Leveraging hidden convexity and strong duality, we then establish global last-iterate convergence guarantees, attaining an $\epsilon$-optimal constrained entropy value with $\epsilon$ bounded constraint violation despite policy-induced non-convexity. We validate PGP through ablations on a grid-world benchmark and further demonstrate scalability on two challenging continuous-control tasks.
Authors: Matthias Hertel, Alexandra Nikoltchovska, Sebastian P\"utz, Ralf Mikut, Benjamin Sch\"afer, Veit Hagenmeyer
Abstract: Time Series Foundation Models (TSFMs) have recently emerged as general-purpose forecasting models and show considerable potential for applications in energy systems. However, applications in critical infrastructure like power grids require transparency to ensure trust and reliability and cannot rely on pure black-box models. To enhance the transparency of TSFMs, we propose an efficient algorithm for computing Shapley Additive Explanations (SHAP) tailored to these models. The proposed approach leverages the flexibility of TSFMs with respect to input context length and provided covariates. This property enables efficient temporal and covariate masking (selectively withholding inputs), allowing for a scalable explanation of model predictions using SHAP. We evaluate two TSFMs - Chronos-2 and TabPFN-TS - on a day-ahead load forecasting task for a transmission system operator (TSO). In a zero-shot setting, both models achieve predictive performance competitive with a Transformer model trained specifically on multiple years of TSO data. The explanations obtained through our proposed approach align with established domain knowledge, particularly as the TSFMs appropriately use weather and calendar information for load prediction. Overall, we demonstrate that TSFMs can serve as transparent and reliable tools for operational energy forecasting.
Authors: Haidong Zhao, Nikolaos Georgantas
Abstract: Machine learning (ML) inference serving systems host deep neural network (DNN) models and schedule incoming inference requests across deployed GPUs. However, limited support for task prioritization and insufficient latency estimation under concurrent execution may restrict their applicability in on-premises scenarios. We present \emph{Strait}, a serving system designed to enhance deadline satisfaction for dual-priority inference traffic under high GPU utilization. To improve latency estimation, Strait models potential contention during data transfer and accounts for kernel execution interference through an adaptive prediction model. By drawing on these predictions, it performs priority-aware scheduling to deliver differentiated handling. Evaluation results under intense workloads suggest that Strait reduces deadline violations for high-priority tasks by 1.02 to 11.18 percentage points while incurring acceptable costs on low-priority tasks. Compared to software-defined preemption approaches, Strait also exhibits more equitable performance.
Authors: Himanshu Pandey, Ratikanta Behera
Abstract: In recent years, physics-informed neural networks (PINNs) have gained significant attention for solving differential equations, although they suffer from two fundamental limitations, namely, spectral bias inherent in neural networks and loss imbalance arising from multiscale phenomena. This paper proposes an adaptive wavelet-based PINN (AW-PINN) to address the extreme loss imbalance characteristic of problems with localized high-magnitude source terms. Such problems frequently arise in various physical applications, such as thermal processing, electro-magnetics, impact mechanics, and fluid dynamics involving localized forcing. The proposed framework dynamically adjusts the wavelet basis function based on residual and supervised loss. This adaptive nature makes AW-PINN handle problems with high-scale features effectively without being memory-intensive. Additionally, AW-PINN does not rely on automatic differentiation to obtain derivatives involved in the loss function, which accelerates the training process. The method operates in two stages, an initial short pre-training phase with fixed bases to select physically relevant wavelet families, followed by an adaptive refinement that adapts scales and translations without populating high-resolution bases across entire domains. Theoretically, we show that under certain assumptions, AW-PINN admits a Gaussian process limit and derive its associated NTK structure. We evaluate AW-PINN on several challenging PDEs featuring localized high-magnitude source terms with extreme loss imbalances having ratios up to $10^{10}:1$. Across these PDEs, including transient heat conduction, highly localized Poisson problems, oscillatory flow equations, and Maxwell equations with a point charge source, AW-PINN consistently outperforms existing methods in its class.
Authors: Eyon Jang, Damon Falck, Joschka Braun, Nathalie Kirch, Achu Menon, Perusha Moodley, Scott Emmons, Roland S. Zimmermann, David Lindner
Abstract: Reinforcement learning (RL) has become essential to the post-training of large language models (LLMs) for reasoning, agentic capabilities and alignment. Successful RL relies on sufficient exploration of diverse actions by the model during training, which creates a potential failure mode: a model could strategically alter its exploration during training to influence the subsequent training outcome. In this paper we study this behavior, called exploration hacking. First, we create model organisms of selective RL resistance by fine-tuning LLMs to follow specific underperformance strategies; these models can successfully resist our RL-based capability elicitation in agentic biosecurity and AI R&D environments while maintaining performance on related tasks. We then use our model organisms to evaluate detection and mitigation strategies, including monitoring, weight noising, and SFT-based elicitation. Finally, we show that current frontier models can exhibit explicit reasoning about suppressing their exploration when provided with sufficient information about their training context, with higher rates when this information is acquired indirectly through the environment. Together, our results suggest exploration hacking is a possible failure mode of RL on sufficiently capable LLMs.
Authors: Daghash K. Alqahtani, Aamir Cheema, Adel N. Toosi
Abstract: Modern applications, such as autonomous vehicles, require deploying deep learning algorithms on resource-constrained edge devices for real-time image and video processing. However, there is limited understanding of the efficiency and performance of various object detection models on these devices. In this paper, we evaluate state-of-the-art object detection models, including YOLOv8 (Nano, Small, Medium), EfficientDet Lite (Lite0, Lite1, Lite2), and SSD (SSD MobileNet V1, SSDLite MobileDet). We deployed these models on popular edge devices like the Raspberry Pi 3, 4, and 5 with/without TPU accelerators, and Jetson Orin Nano, collecting key performance metrics such as energy consumption, inference time, and Mean Average Precision (mAP). Our findings highlight that lower mAP models such as SSD MobileNet V1 are more energy-efficient and faster in inference, whereas higher mAP models like YOLOv8 Medium generally consume more energy and have slower inference, though with exceptions when accelerators like TPUs are used. Among the edge devices, Jetson Orin Nano stands out as the fastest and most energy-efficient option for request handling, despite having the highest idle energy consumption. These results emphasize the need to balance accuracy, speed, and energy efficiency when deploying deep learning models on edge devices, offering valuable guidance for practitioners and researchers selecting models and devices for their applications.
Authors: Yifei Wang, Hancheng Ye, Yechen Xu, Cong Guo, Chiyue Wei, Qinsi Wang, Dongting Li, Tingjun Chen, Hai "Helen" Li, Danyang Zhuo, Yiran Chen
Abstract: Large language models (LLMs) are increasingly deployed as the execution core of autonomous agents rather than as standalone text generators. Agentic workloads induce a temporal shift from single-turn inference to multi-turn LLM-tool loops, and a spatial shift from chat-scale, GPU-only execution to repository-scale, GPU-CPU co-located execution. Consequently, coordinating heterogeneous resource demands of agentic execution has emerged as a critical system challenge. We design and implement MARS, an efficient and adaptive co-scheduling system that globally coordinates heterogeneous agentic workloads under coupled GPU-CPU resource pressure. By establishing holistic visibility across GPU inference and CPU tool execution via a unified information stream, an external control plane in MARS decouples admission from execution to prevent heterogeneous resource oversubscription. An internal agent-centric scheduler further minimizes the end-to-end critical path by prioritizing latency-sensitive continuations and adaptively retaining KV cache state only when warm resumption yields a latency benefit. Our evaluations show that MARS reduces end-to-end latency by up to 5.94x while maintaining nearly maximal system throughput. We further integrate MARS as the serving backend for the OpenHands coding agent framework, demonstrating its real-world effectiveness by accelerating end-to-end task completion time by up to 1.87x. Our source code will be publicly available soon.
Authors: Mary Nusrat, Sarfuddin Bhuiyan, Gahangir Hossain
Abstract: The growing sophistication of contemporary cyber threats necessitates a more effective and adaptive approach to cybersecurity training. Intuitive and adaptive approaches to learning, which are often required, are not provided in traditional learning methods. In this article, we present a new educational framework, "Learning to Explain Cybersecurity with Q20 Game", based on explainable AI (XAI), an educational game to enhance interactivity in learning. We propose a novel, game-inspired framework - the Explainable Q20 Cybersecurity Recommender (EQ-20CR), that learns to elicit the minimal set of evidential facts needed to justify cybersecurity defensive action. By casting "Why should I execute this mitigation?" as a 20 questions (Q20) game, a policy-based reinforcement-learning (RL) agent actively queries an environment until it can both (i) recommend the optimal security education and (ii) explain that decision with a concise dialogue trace. The article draws from "Playing 20 Question Game with Policy-Based Reinforcement Learning" [1] and "Learning-to-Explain: Recommendation Reason Determination through Q20 Gaming" [2]. The framework uses a policy-based reinforcement learning (RL) agent that leads the user through a sequence of questions to recognize and articulate a targeted cybersecurity concept, attack vector, or defense strategy. Furthermore, users are gradually exposed to informative questions by the system, revealing complicated, structured way at an adaptive difficulty level. In this paper, we design the architecture, its application to various concepts of cybersecurity through illustrative case studies, and its transformative potential on the training and awareness of cybersecurity recommendations.
Authors: Mandar Karhade
Abstract: Knowledge graphs used for retrieval treat all facts as equally current. Existing temporal approaches apply uniform decay, using a single forgetting curve regardless of knowledge type. We show this is fundamentally misspecified: different knowledge types exhibit different temporal dynamics, and the core retrieval problem is not latency or throughput but identifying what is important at query time. We propose a hierarchical framework that replaces uniform decay with a continuous decay surface parameterized by two orthogonal signals: velocity (how frequently a concept is observed) and volatility (how much the value changes between observations, measured via embedding distance). The decay surface is decomposed into three learnable levels: domain-level parameters capture universal patterns (some predicates are inherently permanent, others inherently transient), context-level parameters capture setting-dependent variation, and entity-level adaptation personalizes decay to specific subjects. All parameters emerge from data through survival analysis on observed value lifetimes, requiring no predefined taxonomies or domain expertise. We formulate edge lifetime as a survival problem where the event is value supersession (a meaningfully different value replacing the current one), distinct from mere re-observation. Experiments on synthetic temporal knowledge graphs demonstrate recovery of planted hierarchical parameters (HDBSCAN ARI = 1.0). Validation on 107 Wikipedia articles and 1,163 patient records from the Synthea clinical EHR simulator shows that velocity-volatility clusters emerge naturally, align with observable persistence patterns, and near-universally exhibit the Lindy effect (Weibull shape k < 1). Uniform decay performs 18x worse than no temporal weighting. Heterogeneous decay recovers from this, with each hierarchy level contributing measurable improvement.
Authors: Angshul Majumdar
Abstract: This paper studies the computational difficulty of clustering problems that are defined directly on a continuous probability density. Rather than working with finite samples, we assume the density is given as a polynomial and ask whether it contains certain cluster structures. Four natural questions are examined. First, do there exist several points with high density that are far apart from each other. Second, do two high density points have a midpoint with low density, creating a valley between them. Third, does the region where the density is above a threshold have at least a given number of separate connected pieces. Fourth, does that same region contain a hole, meaning a loop that cannot be shrunk to a point. We prove that the first two problems, separated points and valley detection, are exactly as hard as the existential theory of the reals, a complexity class that contains NP and is believed to be strictly larger. In contrast, the topological problems of counting connected pieces and detecting holes are at least as hard as the existential theory of the reals, but their exact complexity remains open. Placing them inside that class would need a major advance in real algebraic geometry. These results give the first rigorous classification of exact continuous clustering inside the real polynomial hierarchy. They also show that even basic clustering criteria are not NP complete unless unexpected collapses occur.
Authors: Omer F. Erdem, Dean Price, Paul Seurin, Majdi I. Radaideh
Abstract: Multiobjective optimization remains challenging for many scientific and engineering problems due to the need to balance convergence, diversity, and computational efficiency across high-dimensional objective landscapes. This work presents the Multiobjective Animorphic Ensemble Optimization (MAEO) framework, a parallelizable ensemble strategy that unifies state-of-the-art evolutionary algorithms within an island-based architecture, overcoming the limitations of relying on a single optimizer, as implied by the No Free Lunch theorem. MAEO uses a parameter-free hypervolume indicator for island performance assessment and a strict Pareto-rank-based individual scoring formulation that incorporates crowding distance and nadir-point proximity to ensure consistent selection pressure within each front. The framework is initiated using four algorithms (NSGA-III, CTAEA, AGEMOEA2, SPEA2) and evaluated through extensive benchmarking on 12 DTLZ/ZDT functions under 36 dimensionality settings using Wilcoxon signed-rank tests with both hypervolume and inverse generational distance metrics. Results show that MAEO achieves balanced convergence-diversity performance, outperforming or matching some of the leading multiobjective optimization algorithms across different benchmark problems. To demonstrate practical applicability, MAEO is applied to the equilibrium-cycle optimization of a small modular nuclear reactor. Eight discrete design variables (and three objectives (levelized cost of electricity, peak soluble boron concentration, fuel cycle length) are optimized under two safety constraints. The algorithm carried out roughly 40000 evaluations using computer simulations. MAEO identifies core designs that lower both the levelized cost of electricity and the peak boron concentration, while preserving fuel cycle length and meeting all safety constraints.
Authors: Shawqi Al-Maliki, Ammar Gharaibeh, Mohamed Rahouti, Mohammad Ruhul Amin, Mohamed Abdallah, Junaid Qadir, Ala Al-Fuqaha
Abstract: Large Language Models (LLMs) have revolutionized the field of natural language processing. However, they exhibit some limitations, including a lack of reliability and transparency: they may hallucinate and fail to provide sources that support the generated output. Retrieval-Augmented Generation (RAG) was introduced to address such limitations in LLMs. One popular implementation, RAG-as-a-Service (RaaS), has shortcomings that hinder its adoption and accessibility. For instance, RaaS pricing is based on the number of submitted prompts, without considering whether the prompts are enriched by relevant chunks, i.e., text segments retrieved from a vector database, or the quality of the utilized chunks (i.e., their degree of relevance). This results in an opaque and less cost-effective payment model. We propose Chunk-as-a-Service (CaaS) as a transparent and cost-effective alternative. CaaS includes two variants: Open-Budget CaaS (OB-CaaS) and Limited-Budget CaaS (LB-CaaS), which is enabled by our ``Utility-Cost Online Selection Algorithm (UCOSA)''. UCOSA further extends the cost-effectiveness and the accessibility of the OB-CaaS variant by enriching, in an online manner, a subset of the submitted prompts based on budget constraints and utility-cost tradeoff. Our experiments demonstrate the efficacy of the proposed UCOSA compared to both offline and relevance-greedy selection baselines. In terms of the performance metric-the number of enriched prompts (NEP) multiplied by the Average Relevance (AR)-UCOSA outperforms random selection by approximately 52% and achieves around 75% of the performance of offline selection methods. Additionally, in terms of budget utilization, LB-CaaS and OB-CaaS achieve higher performance-to-budget ratios of 140% and 86%, respectively, compared to RaaS, indicating their superior efficiency.
Authors: Mar\'ia Florencia Acosta, Rodrigo Garc\'ia Arancibia, Pamela Llop, Mariel Lovatto, Lucas Mansilla
Abstract: This paper presents a novel value-aware approach to product recommendation that simultaneously addresses the high dimensionality and sparsity of user-item data while explicitly incorporating the contribution of each product and user to overall sales revenue. The proposed framework encodes revenue contributions in the user-item matrix and computes customer similarity directly on this basis using suitable distance measures. This enables the segmentation of users according to the revenue-based similarity of their purchase baskets and supports recommendations aligned with profitability objectives. We compare conventional similarity metrics with a novel alternative tailored to high-dimensional contexts and propose three recommendation strategies based on revenue share, product popularity, and expected profit generation. The effectiveness of the proposed method is validated through simulation experiments and a real-world application using the UCI Online Retail dataset.
Authors: Jaehong Moon
Abstract: We study gradient descent for rank-1 matrix factorization through a certificate-based viewpoint. The central object is a parameterized quadratic certificate $I(\delta;\,\cdot)$ whose level sets shrink along the dynamics, thereby inducing a monotone state parameter $\delta_t$. In the certified regime, this mechanism yields convergence to a global minimizer; in the post-critical regime, it forces trajectories toward a terminal balanced manifold. To explain the origin of these certificates, we formulate a state-dependent Lyapunov framework based on structural axioms. Within this framework, the scalar certificate is uniquely determined, and the same local Lagrange analysis constrains the signal and noise blocks of rank-1 extensions. Thus, the certificates arise from the monotonicity structure of the dynamics, rather than from ad hoc algebraic constructions. We also provide numerical evidence beyond the proved cases. For the 2-dimensional rank-1 approximation problem $X=\mathrm{diag}(1,\sigma)$ with $\sigma\in(0,1)$, the experiments are consistent with the existence of a $C^1$ admissible certificate branch. For the quartic-augmented scalar loss $\frac12(ab-1)^2+\mu(ab-1)^4$, the same scalar certificate remains predictive for several values of $\mu$ after choosing an empirical threshold. These experiments suggest that the state-dependent Lyapunov method may extend beyond the settings proved in this paper.
Authors: Himadri S Samanta
Abstract: Automated depression detection often relies on static aggregation of conversational signals, potentially obscuring clinically meaningful behavioral dynamics. We investigated whether entropy-driven temporal biomarkers improve depression detection beyond standard pooled features using the DAIC-WOZ corpus. Using 142 labeled participants, we reconstructed utterance-level acoustic trajectories and compared pooled temporal baselines, trajectory dynamics, Shannon entropy biomarkers, recurrence quantification, sample entropy, fractal complexity, and coupling biomarkers under leakage-aware validation. Static pooling achieved an AUC of 0.593, trajectory dynamics improved performance to 0.637, and entropy biomarkers produced the strongest statistically significant improvement over pooled baselines (AUC 0.646; nested cross-validated AUC 0.615; permutation p = 0.017). Entropy biomarkers outperformed recurrence, coupling, sample entropy, and fractalbased features, with several biomarkers stable across folds. These findings suggest depression-related signal may lie less in average acoustic levels than in entropy of conversational dynamics, supporting temporally informed digital phenotypes for mental-health assessment.
Authors: Gustav Olaf Yunus Laitinen-Fredriksson Lundstrom-Imanov, Taner Yilmaz
Abstract: We propose EdgeSpike, a co-designed spiking neural network (SNN) framework for autonomous low-power sensing in edge Internet of Things (IoT) architectures. EdgeSpike unifies (i) a hybrid surrogate-gradient and direct-encoding training pipeline, (ii) a hardware-aware neural architecture search (NAS) bounded by per-inference energy and memory budgets, (iii) an event-driven runtime targeting Intel Loihi 2, SpiNNaker 2, and commodity ARM Cortex-M microcontrollers with custom spike-sparse SIMD kernels, and (iv) a lightweight local plasticity rule enabling continual on-device adaptation without backpropagation. The framework is evaluated across five sensing tasks (keyword spotting, vibration-based machine fault detection, surface electromyography gesture recognition, 77 GHz radar human-activity classification, and structural-health acoustic-emission monitoring) on three hardware targets. EdgeSpike achieves a mean classification accuracy of 91.4%, within 1.2 percentage points (pp) of strong INT8 convolutional neural network (CNN) baselines (mean 92.6%), while reducing energy per inference by 18x to 47x on neuromorphic hardware (mean 31x) and by 4.6x to 7.9x on Cortex-M (mean 6.1x). End-to-end latency remains at or below 9.4 ms across all 15 task-hardware configurations. A seven-month, 64-node wireless field deployment confirms a 6.3x extension in projected battery lifetime (from 312 to 1978 days at 2 Wh per node) and bounded accuracy degradation under seasonal drift (0.7 pp with on-device adaptation versus 2.1 pp without). Hardware-aware NAS evaluates 8400 candidates and yields a 12-point Pareto front. EdgeSpike will be released as open source with reproducible training pipelines, hardware-portable runtimes, and benchmark suites.
Authors: Karol Dobiczek, Maciej Mozolewski, Szymon Bobek, Micha{\l} Szafarczyk, Peter van Dam, Grzegorz J. Nalepa
Abstract: Deep learning models for 12-lead electrocardiogram (ECG) analysis achieve high diagnostic performance but lack the intuitive interpretability required for clinical integration. Standard feature attribution methods are limited by the inherent difficulty in mapping abstract waveform fluctuations to physical anatomical pathologies. To resolve this, we propose a cross-modal method that projects feature attributions from high-performance 12-lead ECG models onto the CineECG 3D anatomical space. Our study reveals that while models trained directly on CineECG signals suffer from reduced accuracy and incoherent attributions, the proposed mapping mechanism effectively recovers clinically relevant feature rankings. Validated against a ground-truth dataset of 20 cases annotated by domain experts, the mapped explanations yield a Dice score of 0.56, significantly outperforming the 0.47 baseline of standard 12-lead attributions. These findings indicate that cross-modal averaging mapping effectively filters attribution instability and improves the localization of pathological features, combining the diagnostic expressiveness of standard ECG with the intuitive clarity of anatomical visualization.
Authors: Minhee Park, Seongyeon Son, Yonghyun Lee, Eunchan Kim
Abstract: Automatic feature engineering is an effective approach for improving predictive performance in tabular learning. However, expand-and-reduce methods, such as OpenFE, become increasingly computationally expensive as the input dimensionality grows. This limitation arises primarily from the combinatorial explosion of candidate features generated through operator-feature combinations. To address this issue, we propose SCOPE-FE, a structured search space control framework that improves efficiency by reducing the candidate space prior to feature generation. SCOPE-FE jointly regulates two major sources of combinatorial growth: the operator space and feature-pair space. First, OperatorProbing estimates the dataset-specific utility of candidate operators and eliminates low-contribution operators in advance. Second, FeatureClustering employs spectral embedding and fuzzy c-means clustering to group structurally related features, thereby restricting candidate generation to relevant within-cluster combinations. In addition, we introduce ReliabilityScoring, which incorporates variance across subsamples to stabilize pruning decisions. Experiments on ten benchmark datasets demonstrate that SCOPE-FE substantially reduces feature engineering time while maintaining competitive predictive performance relative to existing baselines. The efficiency gains are particularly pronounced for high-dimensional datasets. These results indicate that structured control of the search space is an effective strategy for scalable automatic feature engineering. The code will be made publicly available upon acceptance.
Authors: Katelyn Crumpacker, Dimitrios Nikolopoulos
Abstract: Large Language Models (LLMs) have become an integral part of many real-world workflows. However, LLMs consume a lot of energy, which becomes a large concern in the scale of the demand for these tools. As LLMs become integrated into different workflows, different applications have arisen to deal with the challenge of running inference for these tools. This raises another issue of choosing the runtime parameter values for these services in order to minimize the energy consumption. Oftentimes this requires deep knowledge of the application or traditional optimization methods that can take days to find optimal values. In this work, we created a human-in-the-loop flow with LLM-assisted runtime parameter optimization in order to solve this issue. With human-created, specific feedback prompting methods, chat-based LLMs can iteratively find energy-efficient inference parameters faster than traditional search methods. LLMs can also tailor their solutions to different hardware setups and easily take into account other system constraints. The enhanced prompt template was able to converge below the threshold at an average of 3.4 prompts compared to the baseline, which converged in an average of 5.2 prompts, and consistently achieved lower final energy per token. The enhanced prompt template also outperformed Sobol sampling in convergence speed.
Authors: Akshunna S. Dogra
Abstract: Nonlinear models and optimization methods have successfully tackled a rapidly growing set of problems in recent years. Indeed, a relatively small toolbox of such models and methods can provide sufficient performance across a large landscape of tasks: deep learning alone has made significant recent contributions in scientific modelling, natural language processing, visual analysis, etc. A similar relationship exists between physical theories and phenomena, where many applications and observations emerge neatly from remarkably minimal foundations. It is natural to wonder if sparse unified frameworks could be built to steer discussion and discovery in the fields concerned with learning, optimization, and modelling. In this work, we posit and examine a possible outline for such a unified theory, interpreting the notion of ''learning'' in a broad sense. In particular, we pursue our goals by viewing learning as an inter-connected process on multiple levels: problem setup, choosing methods, and the analysis of their interplay via imposed optimisation dynamics. We begin by proposing a precise yet versatile definition for ''solvable'' problems. We then define the ''parametrised methods'' by which their solution(s) may be ''learned''. Our goal is to sketch a ''universal convergence theorem'', specifying how and when solvable problems become amenable to the methods chosen for them. We find these constructions reduce the study of learning down to remarkably few ideas and tools - many of which are simply adapted from existing ones in dynamical systems theory, geometry, and fundamental physics.
Authors: Emma Casey, David Roberts, David Sim, Ian Beaver
Abstract: We present a framework for migrating production Large Language Model (LLM) based systems when the underlying model reaches end-of-life or requires replacement. The key contribution is a Bayesian statistical approach that calibrates automated evaluation metrics against human judgments, enabling confident model comparison even with limited manual evaluation data. We demonstrate this framework on a commercial question-answering system serving 5.3M monthly interactions across six global regions; evaluating correctness, refusal behavior, and stylistic adherence to successfully identify suitable replacement models. The framework is broadly applicable to any enterprise deploying LLM-based products, providing a principled, reproducible methodology for model migration that balances quality assurance with evaluation efficiency. This is a capability increasingly essential as the LLM ecosystem continues to evolve rapidly and organizations manage portfolios of AI-powered services across multiple models, regions, and use cases.
Authors: Yibin Luo, Shiwei Gao, Huichuan Zheng, Youyou Lu, Jiwu Shu
Abstract: Fine-tuning Large Language Models (LLMs) on consumer-grade GPUs is highly cost-effective, yet constrained by limited GPU memory and slow PCIe interconnects. Pipeline parallelism combined with CPU offloading mitigates these hardware bottlenecks by reducing communication overhead. However, existing PP schedules suffer from an inherent limitation termed the weight binding issue. Binding uneven model stages (e.g., the LM head is large) to GPUs limits the pipeline's throughput to that of the GPU with the heaviest load, leading to severe pipeline bubbles. In this paper, we propose RoundPipe, a novel pipeline schedule that breaks the weight binding constraint on consumer GPU servers. RoundPipe treats GPUs as a pool of stateless execution workers and dynamically dispatches computation stages across devices in a round-robin manner, achieving a near-zero-bubble pipeline. To ensure training correctness and system efficiency, RoundPipe integrates a priority-aware transfer scheduling engine, a fine-grained distributed event-based synchronization protocol, and an automated layer partitioning algorithm. Evaluations on an 8$\times$ RTX 4090 server demonstrate that RoundPipe achieves 1.48--2.16$\times$ speedups over state-of-the-art baselines when fine-tuning 1.7B to 32B models. Remarkably, RoundPipe enables LoRA fine-tuning of the Qwen3-235B model with 31K sequence length on a single server. RoundPipe is publicly available as an open-source Python library with comprehensive documentation.
Authors: Andrii Zadaianchuk, Leonardo Barcellona, Lennard Schuenemann, Christian Gumbsch, Zehao Wang, Muhammad Zubair Irshad, Fabien Despinoy, Rahaf Aljundi, Stratis Gavves, Sergey Zakharov
Abstract: Accurately reconstructing complex full multi-object scenes from sparse observations remains a core challenge in computer vision and a key step toward scalable and reliable simulation for robotics. In this work, we introduce RecGen, a generative framework for probabilistic joint estimation of object and part shapes, as well as their pose under occlusion and partial visibility from one or multiple RGB-D images. By leveraging compositional synthetic scene generation and strong 3D shape priors, RecGen generalizes across diverse object types and real-world environments. RecGen achieves state-of-the-art performance on complex, heavily occluded datasets, robustly handling severe occlusions, symmetric objects, object parts, and intricate geometry and texture. Despite using nearly 80% fewer training meshes than the previous state of the art SAM3D, RecGen outperforms it by 30.1% in geometric shape quality, 9.1% in texture reconstruction, and 33.9% in pose estimation.
Authors: Hamdiya Adams, Theophilus Ansah-Narh, Daniel Kwadwo Asiedu, Bruce Kofi Banoeng-Yakubo, Marcellin Atemkeng, Thomas Armah, Richmond Opoku-Sarkodie, Rebecca Davis, Ezekiel Nii Noye Nortey
Abstract: This study presents an unsupervised machine learning workflow for electrofacies analysis in the offshore Keta Basin, Ghana, where core data are scarce. Six standard wireline logs from Well~C were analysed over a depth interval comprising approximately $11{,}195$ samples. K-means clustering was applied in multivariate log space, with the clustering structure evaluated using inertia and silhouette diagnostics. Four clusters were identified, supported by an average silhouette coefficient of approximately $0.50$, indicating moderate but meaningful separation. The resulting electrofacies exhibit systematic, depth-continuous patterns associated with variations in clay content, porosity, and rock framework properties, forming a geological continuum from shale-dominated to cleaner sandstone-dominated units. The results demonstrate that log-only, unsupervised clustering supported by quantitative metrics provides a robust and reproducible framework for subsurface characterisation. The proposed workflow offers a practical tool for early-stage formation evaluation in frontier offshore basins and a foundation for future integrated studies.
Authors: Timothy Flavin, Sandip Sen
Abstract: Reinforcement Learning (RL) algorithms exhibit high sample complexity, particularly when applied to Decentralized Partially Observable Markov Decision Processes (Dec-POMDPs). As a response, projects such as SampleFactory, EnvPool, Brax, and IsaacLab migrate parallel execution of classic environments such as MuJoCo and Atari into C++ thread pools or the GPU to decrease the computational cost of environment steps. We are interested in optimizing the decision-level of human-AI joint operations, so we introduce a compute-efficient Dec-POMDP engine natively architected in C++ called Hide-And-Seek-Engine. By employing Data-Oriented Design (DOD) principles, explicit 64-byte cache-line alignment to remove false sharing, and a zero-copy PyTorch memory bridge using pinned memory and Direct Memory Access (DMA), our engine sustains throughput of up to 33,000,000 steps per second (SPS) in a single-agent, 1024-environment, decentralized observations on an AMD Ryzen 9950X (16 cores). Ten agents reduces FPS to 7M SPS with generating random actions contributing 1/3rd the total runtime for reference. The engine achieves a throughput increase of approximately 3,500$\times$ over the baseline single threaded vectorized NumPy implementation and successfully trains cooperative multi-agent policies via PPO, DQN, and SAC in minutes, validating both its performance and generality.
Authors: Paraskevas V. Lekeas, Giorgos Stamatopoulos
Abstract: LLM agents are known to deviate from Nash equilibria in strategic interactions, but nobody has looked inside the model to understand why, or asked whether the deviation can be reversed. We do both. Working with four open-source models (Llama-3 and Qwen2.5, 8B to 72B parameters) playing four canonical two-player games, we establish the behavioral picture through self-play and cross-play experiments, then open up the 32-layer Llama-3-8B model and examine what actually happens during a strategic decision. The mechanistic findings are clear. Opponent history is encoded with near-perfect fidelity at the first layer (96% probe accuracy) and consumed progressively by later ones, while Nash action encoding is weak throughout, never exceeding 56%. There is no dedicated Nash module. Instead, the model privately favors the Nash action through most of its forward pass, but a prosocial override concentrated in the final layers reverses this, reaching 84% probability of cooperation at layer 30. When we inject a learned Nash direction into the residual stream, the behavior shifts bidirectionally, confirmed through concept clamping. The behavioral experiments surface six scale- and architecture-dependent findings, the most notable being that chain-of-thought reasoning worsens Nash play in small models but achieves near-perfect Nash play above 70B parameters. The cross-play experiments reveal three phenomena invisible in self-play: a small model can unravel any partner's cooperation by defecting early; two large models reinforce each other's cooperative instincts indefinitely; and who moves first in a coordination game determines which Nash equilibrium the system reaches. LLMs do not lack Nash-playing competence. They compute it, then suppress it.
Authors: Austin C. Kozlowski, Andrei Boutyline
Abstract: We show that the geometric relations between semantic features in large language models' hidden states closely mirror human psychological associations. We construct feature vectors corresponding to 360 words and project them on 32 semantic axes (e.g. beautiful-ugly, soft-hard), and find that these projections correlate highly with human ratings of those words on the respective semantic scales. Second, we find that the cosine similarities between the semantic axes themselves are highly predictive of the correlations between these scales in the survey. Third, we show that substantial variance across the 32 semantic axes lies on a low-dimensional subspace, reproducing patterns typical of human semantic associations. Finally, we demonstrate that steering a word on one semantic axis causes spillover effects on the model's rating of that word on other semantic scales proportionate to the cosine similarity between those semantic axes. These findings suggest that features should be understood not only in isolation but through their geometric relations and the meaningful subspaces they form.
Authors: Nilavra Pathak, Smriti Shyamal, Prasant Mhasker, Christopher Swartz
Abstract: We study finite-horizon budget allocation as a closed-loop economic control problem and evaluate receding-horizon Model Predictive Control (MPC) relative to reactive budgeting policies. Budgets are allocated periodically under execution noise and operational constraints, while return efficiency may evolve over time. Using a controlled simulation framework motivated by digital marketing, we compare reactive pacing to MPC across environments with increasing degrees of non-stationarity. Our results show that non-stationarity alone does not justify predictive control. When return dynamics are stationary or evolve through unpredictable stochastic drift, MPC offers no systematic advantage over reactive baselines. By contrast, when return efficiency exhibits predictable structure over the planning horizon, that is captured through an underlying model, MPC consistently outperforms reactive budgeting by exploiting intertemporal trade-offs.
Authors: By Riyadh Alrawkan, Edward Boone, Ryad Ghanam, Anton Westveld
Abstract: Variable selection in linear regression models has been a problem since hypothesis testing began. Which variables to include or exclude from a model is not an easy task. Techniques such as Forward, Back ward, Stepwise Regression sequentially add or delete variables from a model. Penalized likelihood methods such as AIC, BIC, etc. seek to choose variables that have a significant contribution to the likelihood. Penalized sum of square methods such as LASSO and Elastic Net have been used to penalize small coefficients to only allow variables with large coefficients in the model. This work introduces an Artificial Intelligence approach to model selection where an ANN is trained to determine the significance of the variables based on OLS estimates. A simulation study shows the accuracy across various sample sizes and variances. Furthermore, a simulation study is conducted to compare the performance of the approach against Forward, Backward, AIC, BIC and LASSO. The approach is illustrated using a dataset from the World Health Organization regarding Life Expectancy. A github link is provided to the pretrained ANN that can handle up to 100 predictor variables, the original WHO dataset and the subset used in this work.
Authors: Shouren Wang, Wang Yang, Chuang Ma, Debargha Ganguly, Vikash Singh, Chaoda Song, Xinpeng Li, Xianxuan Long, Vipin Chaudhary, Xiaotian Han
Abstract: Hybrid-thinking language models expose explicit think and no-think modes, but current designs do not separate them cleanly. Even in no-think mode, models often emit long and self-reflective responses, causing reasoning leakage. Existing work reduces this issue through better data curation and multi-stage training, yet leakage remains because both modes are still encoded in the same feed-forward parameters. We propose Path-Lock Expert (PLE), an architecture-level solution that replaces the single MLP in each decoder layer with two semantically locked experts, one for think and one for no-think, while keeping attention, embeddings, normalization, and the language-model head shared. A deterministic control-token router selects exactly one expert path for the entire sequence, so inference preserves the dense model's per-token computation pattern and each expert receives mode-pure updates during supervised fine-tuning. Across math and science reasoning benchmarks, PLE maintains strong think performance while producing a substantially stronger no-think mode that is more accurate, more concise, and far less prone to reasoning leakage. On Qwen3-4B, for example, PLE reduces no-think reflective tokens on AIME24 from 2.54 to 0.39 and improves no-think accuracy from 20.67% to 40.00%, all while preserving think-mode performance. These results suggest that controllable hybrid thinking is fundamentally an architectural problem, and separating mode-specific feed-forward pathways is a simple and effective solution.
Authors: Tobias Bystrich, Julia M. Pritzen, Christoph A. Schmidt, Claudia Wich-Reif
Abstract: In the field of universal automatic phonetic transcription (APT), clean and diverse training transcriptions are required. However, such high-quality data is limited. We propose the bootstrapping approach Selective Augmentation to improve the available training transcriptions by selectively transferring distinctions between languages. Based on the model MultIPA, we exemplarily show that we could increase the accuracy of an existing feature (plosive voicing) and add a new feature (plosive aspiration) by augmenting the existing training data using information from a separate helper language (Hindi). We describe intrinsic challenges of the evaluation and develop objective metrics to determine the success: Voicing accuracy was increased by 17.6% by reducing the number of false positives. Additionally, aspiration recognition was introduced: While the baseline transcribed 0% of German /p, t, k/ as aspirated, our approach transcribed them as aspirated in 61.2% of the cases. Introducing aspiration recognition to APT models allowed for the tenuis class to be successfully reduced by 32.2%, which also reduces the conflations between the test language's plosives.
Authors: Anh Ta, Junjie Zhu, Shahin Shayandeh
Abstract: Tool-calling agents are evaluated on tool selection, parameter accuracy, and scope recognition, yet LLM trajectory assessments remain inherently post-hoc. Disconnected from the active execution loop, such assessments identify errors that are usually addressed through prompt-tuning or retraining, and fundamentally cannot course-correct the agent in real time. To close this gap, we move evaluation into the execution loop at inference time: a specialized reviewer agent evaluates provisional tool calls prior to execution, shifting the paradigm from post-hoc recovery to proactive evaluation and error mitigation. In practice, this architecture establishes a clear separation of concerns between the primary execution agent and a secondary review agent. As with any multi-agent system, the reviewer can introduce new errors while correcting others, yet no prior work to our knowledge has systematically measured this tradeoff. To quantify this tradeoff, we introduce Helpfulness-Harmfulness metrics: helpfulness measures the percentage of base agent errors that feedback corrects; harmfulness measures the percentage of correct responses that feedback degrades. These metrics directly inform reviewer design by revealing whether a given model or prompt provides net positive value. We evaluate our approach on BFCL (single-turn) and Tau2-Bench (multi-turn stateful scenarios), achieving +5.5% on irrelevance detection and +7.1% on multi-turn tasks. Our metrics reveal that reviewer model choice is critical: the reasoning model o3-mini achieves a 3:1 benefit-to-risk ratio versus 2.1:1 for GPT-4o. Automated prompt optimization via GEPA provides an additional +1.5-2.8%. Together, these results demonstrate a core advantage of separating execution and review: the reviewer can be systematically improved through model selection and prompt optimization, without retraining the base agent.
Authors: Zuriel Y. Yescas-Ramos, Andr\'es \'Alvarez-Garc\'ia, Huziel E. Sauceda
Abstract: We present \textsc{dm-PhiSNet}, a physically constrained \textsc{PhiSNet}-based equivariant model that predicts one-electron reduced density matrices (1-RDMs) directly from molecular geometries in an atomic-orbital (AO) basis for accelerated self-consistent field (SCF) workflows. Training follows a two-stage schedule with progressively introduced physically motivated objectives, and the resulting predictions are refined by a lightweight analytic block. This block enforces electron-number conservation, drives the 1-RDM toward generalized idempotency in the AO metric, and regularizes the occupation spectrum of the L\"owdin-orthogonalized density. Across six closed-shell systems -- H$_2$O, CH$_4$, NH$_3$, HF, ethanol, and NO$_3^-$ -- the refined 1-RDMs provide SCF initial guesses that substantially reduce iteration steps by 49--81\% relative to standard initializations. Beyond SCF acceleration, the learned 1-RDMs yield accurate one-shot total energies and Hellmann--Feynman atomic forces without force supervision, indicating that the model captures chemically meaningful electronic structure. These results demonstrate that combining equivariant learning with analytic constraint enforcement provides a simple, general route to solver-ready density-matrix initializations and accelerated SCF workflows.
Authors: Madhumitha Venkatesan, Xuyang Chen, Dongyu Liu
Abstract: Time-series classification (TSC) has advanced significantly with deep learning, yet most models rely solely on raw numerical inputs, overlooking alternative representations. While texture-based encodings such as Gramian Angular Fields (GAF) and Recurrence Plots (RP) convert time series into 2D images, they often require heavy preprocessing and yield less intuitive representations. In contrast, chart-based visualizations offer more interpretable alternatives and show promise in specific domains; however, their effectiveness remains underexplored, with limited systematic evaluation across chart types, visual encoding choices, and datasets. In this work, we introduce VTBench, a systematic and extensible framework that re-examines TSC through multimodal fusion of raw sequences and chart-based visualizations. VTBench generates lightweight, human-interpretable plots -- line, area, bar, and scatter, providing complementary views of the same signal. We develop a modular architecture supporting multiple fusion strategies, including single-chart visual-numerical fusion, multi-chart visual fusion, and full multimodal fusion with raw inputs. Through experiments across 31 UCR datasets, we show that: (1) chart-only models are competitive in selected settings, particularly on smaller datasets; (2) combining multiple chart types can improve accuracy by capturing complementary visual cues; and (3) multimodal models improve or maintain performance when visual features provide non-redundant information, but may degrade accuracy when they introduce redundancy. We further distill practical guidelines for selecting chart types, fusion strategies, and configurations. VTBench establishes a unified foundation for interpretable and effective multimodal time-series classification.
Authors: Chung-Hsiang Lo, Lu Li, Diji Yang, Tianyu Zhang, Yunkai Zhang, Yoshua Bengio, Yi Zhang
Abstract: Large language models (LLMs) conventionally process structured inputs as 1D token sequences. While natural for prose, such linearization may introduce additional representational burden for tasks whose computation depends directly on explicit 2D structure, because row--column alignment and local neighborhoods are no longer directly expressed in the input. We study this setting, which we refer to as serialization friction, on a small diagnostic testbed of synthetic tasks with explicit 2D structure: matrix transpose, Conway's Game of Life, and LU decomposition. To examine this question, we compare a text-only language pathway over serialized inputs with a vision-augmented pathway, built on the same language backbone, that receives the same underlying content rendered in task-faithful 2D layout, yielding a system-level comparison between two end-to-end input pathways. Across the tasks and settings we study, the visual pathway consistently outperforms the textual pathway; the gap often widens at larger dimensions, and error patterns under serialization become increasingly spatially structured. These findings indicate that the relationship between input representation and model performance on such tasks warrants further investigation, and suggest that preserving task-relevant 2D layout is a promising direction for structured 2D tasks.
Authors: Nazar Kozak
Abstract: Audio-based stuttering systems to date have been trained for detection -- what disfluency is present now -- leaving prediction, the capability needed for closed-loop intervention, unstudied at deployable scale. We train a 616K-parameter CNN on SEP-28k (Apple, 20,131 three-second clips) to predict whether the next contiguous clip contains any disfluency. (1) Severity-selective precursor signal: on the episode-grouped test set, aggregate preblock AUC is modest (0.581 [0.542, 0.619]), but stratifying by upcoming event type reveals concentration on clinically severe events -- blocks 0.601 [0.554, 0.651] and sound repetitions 0.617 [0.567, 0.667] both exclude chance, while fillers (0.45) and word repetitions (0.49) are at chance. The aggregate objective converges to a severity-selective predictor because severe events carry prosodic precursors; fillers do not. (2) Cross-population transfer: without fine-tuning, the same checkpoint applied to 1,024 pediatric Children-Who-Stutter utterances (FluencyBank Teaching) attains AUC 0.674 detection and 0.655 prediction; DisfluencySpeech and LibriStutter reach 0.58-0.60 AUC. (3) Deployable on-device: lossless export to CoreML (1.19 MB), ONNX (40 KB), TFLite. Neural-Engine latency per 3 s window: 0.25 ms (iPhone 17 Pro Max, A19 Pro) to 0.55 ms (iPhone SE 3rd-gen and M1 Max). A 4 Hz streaming simulation uses 0.54% of the real-time budget. Platt-calibrated outputs (test ECE 0.010, from 0.177 raw). Five negative ablations -- output-level Future-Guided Learning, multi-clip GRU, time-axis concatenation, asymmetric focal loss, direct block-targeted training -- none improved over the vanilla baseline.
Authors: Marco Pollanen
Abstract: Pretrial risk assessment tools are used on over one million U.S. defendants each year, yet their use for predicting rare violent re-offense faces a basic statistical barrier. We derive a universal precision bound -- the Likelihood Ratio Wall -- showing that when violent re-arrest rates are low (2-5%), achieving even a 50% hit rate among people labeled "high risk" (positive predictive value, or PPV) would require tools far more discriminative than current instruments appear to be. For rare outcomes, a tool can have respectable-looking performance metrics and still be wrong most of the time it flags someone as "high risk for violence." We show that post-hoc score recalibration cannot solve this problem because it does not improve the tool's underlying ability to separate true positives from false positives. We further prove a Surveillance Ceiling: when over-policing inflates recorded "risk factors" among those who would not re-offend, the maximum achievable precision is structurally lower for over-policed groups, even at equal offense rates. We translate these results into the Number Needed to Detain (how many people must be detained to prevent one violent offense), and propose that risk reports should communicate this uncertainty explicitly. Our findings suggest that for rare violent outcomes, debates about fairness metrics alone are incomplete: under current data regimes, the available features may not support high-confidence individualized detention decisions.
Authors: Mehmet Iscan
Abstract: Large language model (LLM)-based coding agents increasingly rely on external memory to reuse prior debugging experience, repair traces, and repository-local operational knowledge. However, retrieved memory is useful only when the current failure is genuinely compatible with a previous one; superficial similarity in stack traces, terminal errors, paths, or configuration symptoms can lead to unsafe memory injection. This paper reframes issue-memory use as a selective, risk-sensitive control problem rather than a pure top-k retrieval problem. We introduce RSCB-MC, a risk-sensitive contextual bandit memory controller that decides whether an agent should use no memory, inject the top resolution, summarize multiple candidates, perform high-precision or high-recall retrieval, abstain, or ask for feedback. The system stores reusable issue knowledge through a pattern-variant-episode schema and converts retrieval evidence into a fixed 16-feature contextual state capturing relevance, uncertainty, structural compatibility, feedback history, false-positive risk, latency, and token cost. Its reward design penalizes false-positive memory injection more strongly than missed reuse, making non-injection and abstention first-class safety actions. In deterministic smoke-scale artifacts, RSCB-MC obtains the strongest non-oracle offline replay success rate, 62.5%, while maintaining a 0.0% false-positive rate. In a bounded 200-case hot-path validation, it reaches 60.5% proxy success with 0.0% false positives and a 331.466 microseconds p95 decision latency. The results show that, for coding-agent memory, the key question is not only which memory is most similar, but whether any retrieved memory is safe enough to influence the debugging trajectory.
Authors: Ming-Hong Yao, Di Wang, Jian Cui, Jin-Yan Chen, Zi-Hao Cui, Fa Wang, Chen Wei, Qiu-Ye Yu
Abstract: Learning rate scheduling has evolved from the single global fixed rate of early SGD to sophisticated layer-wise adaptive strategies. We systematize this evolution into five generations: (Gen1) global fixed learning rates, (Gen2) global scheduling, (Gen3) parameter-level adaptation, (Gen4) layer-level differentiation, and (Gen5) joint layer-time scheduling. We trace the fundamental motivation behind each transition, showing how the shift from one-size-fits-all to tailoring by layer and time addresses the impossible trinity of transfer learning: lower layers require small updates to preserve general knowledge while higher layers need large updates to adapt to new tasks. Building on this taxonomy, we propose Discriminative Adaptive Layer Scaling (DALS), a unified framework that integrates phase-adaptive cosine scheduling, depth-aware Grokfast gradient filtering, and LARS-style trust ratios into a single coherent optimizer. We benchmark 18 strategies including three DALS variants across all five generations on five datasets: synthetic, CIFAR-10 (from scratch), RTE, TREC-6, and IMDb (fine-tuning). On synthetic, DALS achieves the best accuracy at 98.0%, while DALS-Fast reaches 90% in just 3 epochs. The cross-dataset analysis reveals striking regime-dependent patterns -- no single strategy wins across all regimes. Critically, STLR+Discriminative, the ULMFiT champion, catastrophically fails on from-scratch tasks (43.6% on TREC-6 from scratch vs. 96.8% with RAdam), confirming that directional decay biases are harmful without pretrained features. DALS avoids either extreme, achieving the best synthetic result while maintaining competitive fine-tuning performance.
Authors: Tianyu Yang, Md. Noor-E-Alam
Abstract: Causal inference is essential for data-driven decision-making, as it aims to uncover causal relationships from observational data. However, identifying causality remains challenging due to the potential for confounding and the distinction between correlation and causation. While recent advances in causal machine learning and matching algorithms have improved estimation accuracy, these methods often face trade-offs between interpretability and computational efficiency. This paper proposes a novel approach that combines a tree-based discretization technique, tailored for causal inference, with an integer linear programming-based matching algorithm. The discretization ensures approximately linear relationships for control datasets within strata, enabling effective matching, while the optimization framework optimizes for global balance. The resulting algorithm yields computational efficiency and less biased ATT estimates compared to state-of-the-art algorithms. Empirical evaluations demonstrate the proposed method's practical advantages over existing techniques in causal inference scenarios.
Authors: Jun Yeon Won, Xin Jin, Shiqing Ma, Zhiqiang Lin
Abstract: Large Language Models (LLMs) have achieved remarkable progress in recent years, driving their adoption across a wide range of domains, including computer security. In reverse engineering, LLMs are increasingly applied to critical tasks such as function and variable name recovery and type inference. However, despite the rapid growth of research in this area, progress has been hindered by the absence of a standardized dataset. Existing studies rely on disparate datasets, preprocessing pipelines, and evaluation metrics, making fair comparisons between approaches difficult and obscuring a clear understanding of LLM capabilities in binary analysis. To address these challenges, we present REBench, a comprehensive benchmark dataset for evaluating LLMs on binary reverse engineering tasks. REBench consolidates a superset of existing datasets, comprising hundreds of millions of lines of source code and a diverse collection of binaries spanning multiple architectures and optimization levels. REBench adopts a knowledge-base-driven methodology that stores byte-level stack information to generate ground truth, ensuring that task difficulty is preserved while maintaining universal applicability. This design enables fair evaluation across tasks while avoiding simplifications that could bias results. As a use case, we apply REBench to measure the reverse engineering performance of LLMs and the result demonstrates difficulties in complex tasks.
Authors: Zihao Li, Jiaru Zou, Feihao Fang, Xuying Ning, Mengting Ai, Tianxin Wei, Sirui Chen, Xiyuan Yang, Jingrui He
Abstract: Agentic large language model systems have demonstrated strong capabilities. However, their reliance on language as the universal interface fundamentally limits their applicability to many real-world problems, especially in scientific domains where domain-specific foundation models have been developed to address specialized tasks beyond natural language. In this work, we introduce Eywa, a heterogeneous agentic framework designed to extend language-centric systems to a broader class of scientific foundation models. The key idea of Eywa is to augment domain-specific foundation models with a language-model-based reasoning interface, enabling language models to guide inference over non-linguistic data modalities. This design allows predictive foundation models, which are typically optimized for specialized data and tasks, to participate in higher-level reasoning and decision-making processes within agentic systems. Eywa can serve as a drop-in replacement for a single-agent pipeline (EywaAgent) or be integrated into existing multi-agent systems by replacing traditional agents with specialized agents (EywaMAS). We further investigate a planning-based orchestration framework in which a planner dynamically coordinates traditional agents and Eywa agents to solve complex tasks across heterogeneous data modalities (EywaOrchestra). We evaluate Eywa across a diverse set of scientific domains spanning physical, life, and social sciences. Experimental results demonstrate that Eywa improves performance on tasks involving structured and domain-specific data, while reducing reliance on language-based reasoning through effective collaboration with specialized foundation models.
Authors: Zhenjie Ren, Xiaoli Wei, Xiang Yu, Xun Yu Zhou
Abstract: This paper investigates the continuous-time counterpart of the Q-function for entropy-regularized mean-field control (MFC) with controlled common noise, coined as q-function by Jia and Zhou (2023) in the single agent's model. We first show that, under discretely sampled actions, the value function in the exploratory formulation converges to the one in the relaxed control formulation as the time grid refines. Leveraging the relaxed control formulation, we derive the exploratory Hamilton-Jacobi-Bellman (HJB) equation, in which the controlled common noise gives rise to an additional nonlinear functional of policy, rendering the policy iteration intricate. Under certain concavity condition, we establish the existence and uniqueness of the optimal one-step policy iteration via a first-order condition using the partial linear functional derivative with respect to policy. The policy improvement at each iteration is verified by relating to an entropy-regularized optimization problem over the space of policies. In the mean-field setting, we introduce the integrated q-function (Iq-function) defined on the state distribution and the policy, and it is shown that an optimal policy is identified as a two-layer fixed point to the argmax operator of the Iq-function. Finally, we provide the explicit characterization of an optimal policy as a Gaussian distribution in the general linear-quadratic (LQ) setting.
Authors: Zhenjie Ren, Xiaoli Wei, Xiang Yu, Xun Yu Zhou
Abstract: This paper is a continuation work of Ren et al. (2026) aiming to further devise q-learning algorithms for mean-field control (MFC) with controlled common noise. Based on the relaxed control formulation, we first establish the martingale condition of the value function and the Iq-function by evaluating along the conditional state distributions generated by all test policies. As the data in the relaxed control formulation are not observable in practice, we quantify the error incurred when they are replaced by the observable ones in the exploratory formulation under discretely sampled actions. This, together with a two-layer fixed point characterization of an optimal policy in Ren et al. (2026), allows us to propose several algorithms including the Actor-Critic q-learning algorithm, in which the policy is updated in the Actor-step based on the iteration rule induced by the improved Iq-function, and the value function and Iq-function are updated in the Critic-step based on the martingale orthogonality condition using the data from the exploratory formulation. We also establish the convergence of the inner iterations in the Actor-step in an infinite-horizon linear quadratic (LQ) framework. In two examples, within and beyond LQ framework, our q-learning algorithms are implemented with satisfactory performance.
Authors: Yang Luo
Abstract: Dialogue models are inherently reactive, responding to the current user turn without anticipating upcoming intents, which leads to redundant interactions in multi-intent settings. We address this limitation by introducing a lightweight intent-transition prior derived from dialogue data and injected into the system prompt at inference time. We instantiate this prior using a Temporal Bayesian Network (T-BN) trained on per-turn intent annotations in MultiWOZ 2.2. The T-BN achieves Recall@5 = 0.787 and MRR = 0.576 on 1,071 held-out USER-turn pairs. In a ground-truth replay over 200 dialogues, BN-guided generation improves Coverage AUC from 0.742 to 0.856 and reduces the number of turns required to reach 75% intent coverage from 3.95 to 2.73. These results show that lightweight intent-transition guidance enables more proactive and efficient dialogue behavior without modifying the underlying language model.
Authors: Eichi Uehara
Abstract: Conditional Average Treatment Effect (CATE) estimation in practice demands three properties simultaneously: heterogeneous effects $\tau(x)$, calibrated uncertainty over them, and robustness to the heavy tails that contaminate real outcome data. Meta-learners (K\"unzel et al., 2019) give (i); causal forests and BART give (i)-(ii) with Gaussian-tail assumptions; no widely used tool gives all three. We present Bayesian X-Learner, an X-Learner built on cross-fitted doubly robust pseudo-outcomes (Kennedy, 2020) with a full MCMC posterior over $\tau(x)$ via a Welsch redescending pseudo-likelihood. On Hill's IHDP benchmark the default configuration attains mean $\sqrt{\varepsilon_{\mathrm{PEHE}}} = 0.56$ on 5 replications (lowest mean; differences from S-/T-/X-learners, full-config Causal BART, and a causal forest baseline are not significant at $\alpha=0.05$, and rank ordering is unstable at 10 replications -- IHDP comparisons are competitive rather than dominant). On contaminated "whale" DGPs with up to 20-25% tail density, a one-flag extension (contamination_severity) that selects a Huber-$\delta$ nuisance loss per Huber's minimax-$\delta$ relation recovers RMSE $\approx 0.13$ with tight credible intervals (single-cross-fit 30-seed coverage 83% [Wilson 66%, 93%] at 20% density; modular-Bayes pooling with Bayesian-bootstrap nuisance draws restores nominal 95% coverage).
Authors: Hongliang Liu, Tung-Ling Li, Yuhao Wu
Abstract: Perturbation probing generates task-specific causal hypotheses for FFN neurons in large language models using two forward passes per prompt and no backpropagation, followed by a one-time intervention sweep of about 150 passes amortized across all identified neurons. Across eight behavioral circuits, 13 models, and four architecture families, we identify two circuit structures that organize LLM behavior. Opposition circuits appear when RLHF suppresses a pre-training tendency. In safety refusal, about 50 neurons, or 0.014 percent of all neurons, control the refusal template; ablating them changes 80 percent of response formats on 520 AdvBench prompts while producing near-zero harmful compliance, 3 of 520 cases, all with disclaimers. Routing circuits appear for pre-training behaviors distributed through attention. For language selection, residual-stream direction injection switches English to Chinese output on 99.1 percent of 580 benchmark prompts in the 3 of 19 tested models that satisfy three observed conditions: bilingual training, FFN-to-skip signal ratio between 0.3 and 1.1, and linear representability. The same intervention fails on the other 16 models and on math, code, and factual circuits, defining the limits of directional steering. The FFN-to-skip signal ratio, computed from the same two forward passes, distinguishes the two structures and predicts the appropriate intervention. Circuit topology varies by architecture, from Qwen's concentrated FFN bottleneck to Gemma's normalization-shielded circuit. In Qwen3.5-2B, ablating 20 neurons eliminates multi-turn sycophantic capitulation, while amplifying 10 related neurons improves factual correction from 52 percent to 88 percent on 200 TruthfulQA prompts. These results show that perturbation probing offers mechanistic insight into RLHF-organized behavior and a practical toolkit for precision template-layer editing.
Authors: David Fernandez, Pedram MohajerAnsari, Amir Salarpour, Mert D. Pese
Abstract: Vision-language models (VLMs) are increasingly used in autonomous driving because they combine visual perception with language-based reasoning, supporting more interpretable decision-making, yet their robustness to physical adversarial attacks, especially whether such attacks transfer across different VLM architectures, is not well understood and poses a practical risk when attackers do not know which model a vehicle uses. We address this gap with a systematic cross-architecture study of adversarial transferability in VLM-based driving, evaluating three representative architectures (Dolphins, OmniDrive, and LeapVAD) using physically realizable patches placed on roadside infrastructure in both crosswalk and highway scenarios. Our transfer-matrix evaluation shows high cross-architecture effectiveness, with transfer rates of 73-91% (mean TR = 0.815 for crosswalk and 0.833 for highway) and sustained frame-level manipulation over 64.7-79.4% of the critical decision window even when patches are not optimized for the target model.
Authors: Ziwei Zhang, Jonathan Yu-Meng Li
Abstract: Modern stochastic optimization pipelines increasingly rely on learned generative models to represent uncertainty, while downstream decisions are evaluated almost entirely through Monte Carlo scenarios. This shifts the operational object of uncertainty from an explicit probability law to the sampler induced by the learned generator. Reliability therefore depends on two errors: sampler misspecification and finite-simulation error. We propose Sampler-Robust Optimization (SRO), which optimizes decisions against the worst-case sampler induced by perturbing the learned generator. This sampler-first formulation aligns with simulation-based decision pipelines and admits a sharpness-aware interpretation: it favors decisions whose performance is stable under generator perturbations, rather than merely under the nominal sampler. Under a coverage assumption, we show that the empirical worst-case objective provides a high-probability upper certificate for the true population objective, with finite-simulation error partially absorbed by the robustification used to guard against sampler misspecification. The framework accommodates generative models with or without explicit densities and admits efficient minimax procedures. Portfolio-optimization experiments show that SRO produces more stable decisions and improves out-of-sample performance under distribution shift.
Authors: Yang Zhang, Jiangyuan Zhao, Chenyou Fan, Fangzheng Yan, Tian Li, Haitong Tang, Sen Fu, Xuan'er Wu, Qizhen Weng, Weinan Zhang, Xiu Li, Chi Zhang, Chenjia Bai, Xuelong Li
Abstract: Vision-Language-Action (VLA) models advance robotic control via strong visual-linguistic priors. However, existing VLAs predominantly frame pretraining as supervised behavior cloning, overlooking the fundamental nature of robot learning as a goal-reaching process that requires understanding temporal task progress. We present \textbf{PRTS} (\textbf{P}rimitive \textbf{R}easoning and \textbf{T}asking \textbf{S}ystem), a VLA foundation model that reformulates pretraining through Goal-Conditioned Reinforcement Learning. By treating language instructions as goals and employing contrastive reinforcement learning, PRTS learns a unified embedding space where the inner product of state-action and goal embeddings approximates the log-discounted goal occupancy, the probability of reaching the language-specified goal from the current state-action, quantitatively assessing physical feasibility beyond static semantic matching. PRTS draws this dense goal-reachability supervision directly from offline trajectories without reward annotations, and folds it into the VLM backbone via a role-aware causal mask, incurring negligible overhead over vanilla behavior cloning. This paradigm endows the high-level reasoning system with intrinsic goal reachability awareness, bridging semantic reasoning and temporal task progress, and further benefits goal-conditioned action prediction. Pretrained on 167B tokens of diverse manipulation and embodied-reasoning data, PRTS reaches state-of-the-art performance on LIBERO, LIBERO-Pro, LIBERO-Plus, SimplerEnv, and a real-world suite of 14 complex tasks, with particularly substantial gains on long-horizon, contact-rich, and zero-shot novel-instruction settings, confirming that injecting goal-reachability awareness significantly improves both execution success and long-horizon planning of general-purpose robotic foundation policies.
Authors: Samuel Pastva, Van-Giang Trinh
Abstract: We present BAss (BDD-based ADF symbolic solver), a novel analysis tool for Abstract Dialectical Frameworks (ADFs) based on Binary Decision Diagrams (BDDs). It supports the fully symbolic computation of all admissible, complete, and preferred interpretations, as well as two-valued and stable models of an ADFs. Our approach is inspired by the recently discovered equivalence between Boolean Networks (BNs) and ADFs by Heyninck et al. (2024) and Azpeitia et al. (2024), significantly extending current BDD-based tools bioLQM, AEON, and adf-bdd. We conducted experiments on a large-scale collection of real-world models from both the BN and ADF communities. Our results show that BAss dramatically outperforms previous BDD-based tools and is competitive (even significantly better in some cases) with state-of-the-art SAT/ASP-based methods, particularly in scenarios involving large solution spaces. Notably, BAss is able to enumerate all fixed points or minimal trap spaces of certain biological networks beyond the reach of existing tools, thereby enabling new analysis and case studies in systems biology. These results highlight the practical relevance of symbolic reasoning for complex real-world applications, particularly in systems biology and formal argumentation.
Authors: Anna Mazhar, Huzaifa Suri, Sainyam Galhotra
Abstract: Reasoning over heterogeneous artifacts (PDFs, spreadsheets, slide decks, etc.) increasingly occurs within structured agent workflows that iteratively extract, transform, and reference external information. In these workflows, uncertainty is not merely an input-quality issue: it can redirect decomposition and routing decisions, reshape intermediate state, and produce qualitatively different execution trajectories. We study this phenomenon by treating uncertainty as a controlled variable: we inject structured perturbations into artifact-derived representations, execute fixed workflows under comprehensive logging, and quantify contamination via trace divergence in plans, tool invocations, and intermediate state. Across 614 paired runs on 32 GAIA tasks with three different language models, we find a decoupling: workflows may diverge substantially yet recover correct answers, or remain structurally similar while producing incorrect outputs. We characterize three manifestation types: silent semantic corruption, behavioral detours with recovery, and combined structural disruption and their control-flow signatures (rerouting, extended execution, early termination). We measure operational costs and characterize why commonly used verification guardrails fail to intercept contamination. We contribute (i) a formal taxonomy of contamination manifestations in structured workflows, (ii) a trace-based measurement framework for detecting and localizing contamination across agent interactions, and (iii) empirical evidence with implications for targeted verification, defensive design, and cost control.
Authors: Ethan Bito, Yongli Ren, Estrid He
Abstract: Large language models (LLMs) are increasingly used for recommendation reranking, but their listwise predictions can depend on the order in which candidates are presented. This creates a mismatch between the set-based nature of recommendation and the sequence-based computation of decoder-only LLMs, where permuting an otherwise identical candidate set can change item scores and final rankings. Such order sensitivity makes LLM-based rerankers difficult to rely on, since rankings may reflect prompt serialization rather than user preference. We propose InvariRank, a permutation-invariant listwise reranking framework that addresses this dependence at the architectural level. InvariRank blocks cross-candidate attention with a structured attention mask and negates position-induced scoring changes through shared positional framing under Rotary Positional Embeddings (RoPE). Combined with a listwise learning-to-rank objective, the model scores all candidates in a single forward pass, avoiding permutation-based invariance training objectives that require multiple permutations of a candidate set. Experiments on recommendation benchmarks show that InvariRank maintains competitive ranking effectiveness while producing stable rankings across candidate permutations. The results suggest that architectural invariance is a practical route to reliable and efficient LLM-based recommendation reranking. The source code is at https://github.com/ejbito/InvariRank.
Authors: Naomi Esposito, Anthony Tricarico, Luisa Porzio, Ali Aghazadeh Ardebili, Massimo Stella
Abstract: To enhance LLMs' impact on math education, we need data on their mathematical prowess and biases across prompts. To fill this gap, we introduce MEDS (Math Education Digital Shadows) as a dataset mapping how large language models reason about and report mathematics across human- and AI-like conditions. MEDS involves 28,000 personas from 14 LLMs (from families like Mistral, Qwen, DeepSeek, Granite, Phi and Grok) shadowing either humans or AI assistants. Each record/shadow includes a set of prompts along with psychological/sociodemographic persona metadata and four types of math tasks: (i) open math interview, (ii) three psychometric tests about math perceptions with explanations, (iii) cognitive networks capturing math attitudes, and (iv) 18 high-school math test questions together with their reasoning and confidence scores. MEDS differs from traditional score-only math benchmarks because it integrates concepts of self-efficacy, math anxiety, and cognitive network science besides math proficiency scores. Data validation shows that the sampled LLMs exhibit schema integrity and consistent personas, together with family-specific peculiarities like human-like negative math attitudes, logical fallacies, and math overconfidence. MEDS will benefit learning analytics experts, cognitive scientists, and developers of safer AI tutors in mathematics.
Authors: Ali Aghazadeh Ardebili, Massimo Stella
Abstract: Large Language Models (LLMs) can strongly shape social discourse, yet datasets investigating how LLM outputs vary across controlled social and contextual prompting remain sparse. Cognitive Digital Shadows (CDS) is a 190,000-record synthetic corpus supporting analyses of LLM-generated discourse. Each CDS record is generated by one of 19 LLMs, prompted to shadow either a human persona or an AI-assistant role. CDS contains LLM responses on 4 controversial societal topics: vaccines/healthcare, social media disinformation, the gender gap in science, and STEM stereotypes. Persona-conditioned records encode 17 sociodemographic and psychological attributes, providing data linking LLMs' prompts, language, stances and reasoning. Texts are validated for topic anchoring and can support emotional analyses via interpretable NLP (e.g. textual forma mentis networks). CDS is enriched by a pooling platform with user-friendly dashboards, enabling easy, interactive group-level comparisons of emotional and semantic framing across personas, topics and models. The CDS prompting framework supports future audits of LLMs' bias, social sensitivity and alignment.
Authors: Buqing Ou, Frederike D\"umbgen
Abstract: Policy optimization in high-dimensional continuous control for robotics remains a challenging problem. Predominant methods are inherently local and often require extensive tuning and carefully chosen initial guesses for good performance, whereas more global and less initialization-sensitive search methods typically incur high rollout costs. We propose TFM-S3, a tabular hybrid local-global method for improving global exploration in robot policy learning with limited rollout cost. We interleave high-frequency local updates with intermittent rounds of global search. In each search round, we construct a dynamically updated low-dimensional policy subspace via SVD and perform iterative surrogate-guided refinement within this space. A pretrained tabular foundation model predicts candidate returns from a small context set, enabling large-scale screening with limited rollout cost. Experiments on continuous control benchmarks show that TFM-S3 consistently accelerates early-stage convergence and improves final performance compared to TD3 and population-based baselines under an identical rollout budget. These results demonstrate that foundation models are a powerful new tool for creating sample-efficient policy learning methods for continuous control in robotics.
Authors: Sebastiano Franchini, Alexis Carrillo, Edoardo Sebastiano De Duro, Riccardo Improta, Ali Aghazadeh Ardebili, Massimo Stella
Abstract: We introduce Target-Event-Agent Networks (TEA Nets) as a computational framework to extract subjects (``Agents"), verbs (``Events"), and objects (``Targets") from texts. Grounded in cognitive network science and artificial intelligence, TEA Nets are implemented as an open-source Python library. We test TEA Nets in three case studies, demonstrating the framework's ability to perform interpretable emotion detection, semantic frame analyses, and linguistic inquiries across conspiracy texts and textual responses generated by LLMs. In the LOCO conspiracy corpus, TEA Nets revealed that highly conspiratorial narratives (4,227 texts) linked personal pronouns (``I", ``you", ``we") with the same actions twice as frequently as low-similarity conspiracy narratives. High-conspiracy narratives connected person-focused elements (``you", ``people") through actions eliciting anger above the random baseline ($z = 2.63, p < .05$), a trend absent in low-similarity conspiracy narratives, which emphasized scientific actors (``researcher", ``scientist"). In the HOPE and CounseLLMe datasets of 212 (human) and 200 (LLM-based) psychotherapy transcripts, respectively, TEA Nets highlighted emotional differences. When expressing feelings, Claude 3 Haiku, GPT-3.5, and humans used sad words with higher frequency than random expectations but Haiku expressed sadness with lower emotional intensity than humans ($U = 1243.5, p = .036$). We discuss these differences in the context of psychotherapy training on LLM-simulated patients. Our results show that Target-Event-Agent Networks can extract relevant emotional, syntactic, and semantic insights from narratives, opening new avenues for text analysis with cognitive network science.
Authors: Rog\'erio Almeida Gouv\^ea, Gian-Marco Rignanese
Abstract: While machine-learned interatomic potentials (MLIPs) accelerate phonon dispersion calculations, merely identifying dynamical instabilities in computationally predicted materials is insufficient; automated pathways to resolve them are required. We introduce VibroML, an open-source Python toolkit driven by foundational MLIPs that shifts the paradigm from stability verification to automated structural remediation. VibroML employs an energy-guided genetic algorithm that vastly outperforms traditional soft-mode following, efficiently navigating the potential energy surface to uncover diverse, dynamically stable polymorphs. As 0 K harmonic stability does not guarantee macroscopic viability, an automated molecular dynamics workflow evaluates finite-temperature structural retention. VibroML also couples with ProtoCSP, our combinatorial structure prediction engine, to stabilize frustrated crystal topologies via targeted alloying, successfully rescuing functional perovskite networks like Cs$_2$KInI$_6$ and KTaSe$_3$. Demonstrating broader applicability, we mined the Alexandria database -- where ~50% of quaternary and 99.5% of quinary elemental combinations lack any structural entries -- to identify thousands of abandoned, high-symmetry stoichiometries. Deploying ProtoCSP's "cold start" retrieval and VibroML's evolutionary search on a sample, we successfully identified dynamically stable low-symmetry candidates. Through integrated structural remediation, thermal validation, and systematic compositional exploration, VibroML enables a comprehensive deep-screening approach, yielding physically sound structural propositions that far surpass standard high-throughput workflows.
Authors: Piotr Bia{\l}as, Piotr Korcyl, Tomasz Stebel, Adam Stefa\'nski, Dawid Zapolski
Abstract: Autoregressive Neural Networks based on dense or convolutional layers have recently been shown to be a viable strategy for generating classical spin systems. Unlike these methods, sampling with transformers is commonly considered to be computationally inefficient. In this work, we propose a novel approach to transformer-based neural samplers in which we generate not a single spin per step but groups of spins. As an additional improvement, we construct a model of approximated probabilities, further improving the efficiency of the algorithm. Despite our approach being computationally heavier than dense networks or CNN-based approaches, we were able to sample larger systems of up to $180 \times 180$ spins in case of the Ising model. The Effective Sample Size of our sampler is $\sim 20$ times larger than that of the previous state-of-the-art neural sampler when trained for the $128 \times 128$ Ising model at critical temperature. Finally, we also test our algorithm on the 2D Edwards-Anderson model, where we train $64\times 64$ spin systems.
Authors: Yuval Domb
Abstract: We develop a geometric and information-theoretic framework for encoder-decoder learning built on the Information Bottleneck (IB) principle. Recasting IB as a rate-distortion problem with Kullback-Leibler (KL) divergence as distortion, we show that the optimal representation at any distortion level is a soft clustering of the \emph{predictive manifold} $\mathcal{M}=\{p(Y|x):x\in\mathcal{X}\}$ inside the probability simplex, admitting a linear decoder in the canonical parameterization. We derive a chain of exact transformations, from flat Dirichlet to exponential to isotropic Gaussian, connecting the maximum entropy prior on the simplex to Euclidean space, with quantified entropy overhead at each step, and show that Sketched Isotropic Gaussian Regularization (SIGReg) implements a Gaussian relaxation of this principle whose overhead affects rate accounting but not achievable prediction. This relaxation provides a principled distributional regularizer for learning with limited or no supervision. Using the Conditional Entropy Bottleneck (CEB) decomposition, we derive concrete encoder losses for supervised and semi-supervised settings, estimated via minibatch marginals without variational bounds. In the self-supervised setting, the CEB conditional rate is replaced by a view-prediction proxy. SIGReg serves as the distributional regularizer for both the semi-supervised and self-supervised settings. Experiments on toy problems and FashionMNIST confirm the predicted rate-distortion trade-offs and show that the non-parametric estimator is competitive with the standard variational approach.
Authors: Radmir Karamov, Tagir Karamov
Abstract: Shallow nanoindentation enables mechanical characterization of thin films, individual phases and other volume-constrained materials, but measured hardness is often inflated by the indentation size effect (ISE), contact-area errors and tip-geometry artifacts. Classical ISE corrections such as the Nix-Gao require a deep linear regime and are unreliable when only shallow measurements are used. This study investigates how a small experimental dataset can be used to predict a reference hardness with physics-guided feature engineering and augmentation. Approximately 700 experimental indentations were collected from three steel reference specimens covering a hardness range of 2-6.5 GPa and augmented using physically motivated variations representing instrumental noise, session-level drift, and local multiphase boundary blending. The input space combined Oliver-Pharr values with mechanics descriptors, including indentation work partitioning, ($H\text{/}E_{r}$), and the area-invariant compliance proxy ($P_{\max}\text{/}S^{2}$). Ridge Regression (RR), Random Forest, XGBoost, and Neural Networks (NN) were evaluated using a quarantined fourth steel specimen tested at staggered loads. The hardness mapping was nonlinear: RR failed, whereas nonlinear models achieved ($R^2 > 0.98$) internally. A constrained (64-8-64) NN gave the best results, reaching RMSE = 0.470 GPa, MAPE = 5.4% on the quarantined steel. Unlike Nix-Gao analysis, the NN produced stable estimates in the shallow regime. SHAP and latent-space analysis showed reliance on area-invariant and energy-based descriptors. The results demonstrate the feasibility of a this workflow for ISE correction in steels using small datasets and suggest a pathway toward data-efficient characterization of any volume constrained materials.
Authors: Ishrak Hamim Mahi, Siam Ferdous, Md Sakib Sadman Badhon, Nabid Hasan Omi, Md Habibun Nabi Hemel, Farig Yousuf Sadeque, Md. Tanzim Reza
Abstract: The rapid proliferation of image generation models and other artificial intelligence (AI) systems has intensified concerns regarding data privacy and user consent. As the availability of public datasets declines, major technology companies increasingly rely on proprietary or private user data for model training, raising ethical and legal challenges when users request the deletion of their data after it has influenced a trained model. Machine unlearning seeks to address this issue by enabling the removal of specific data from models without complete retraining. This study investigates a modified SISA (Sharded, Isolated, Sliced, and Aggregated) framework designed to achieve class-level unlearning in Convolutional Neural Network (CNN) architectures. The proposed framework incorporates a reinforced replay mechanism and a gating network to enhance selective forgetting efficiency. Experimental evaluations across multiple image datasets and CNN configurations demonstrate that the modified SISA approach enables effective class unlearning while preserving model performance and reducing retraining overhead. The findings highlight the potential of SISA-based unlearning for deployment in privacy-sensitive AI applications. The implementation is publicly available at https://github.com/SiamFS/ sisa-class-unlearning.
Authors: Yuhua Wang, Qinnan Zhang, Xiaodong Li, Huan Zhang, Yifan Sun, Wangjie Qiu, Hainan Zhang, Yongxin Tong, Zhiming Zheng
Abstract: Prototype-based Personalized Federated Learning (ProtoPFL) enables efficient multi-domain adaptation by communicating compact class prototypes, but directly sharing them poses privacy risks. A common defense involves per-example $\ell_2$ clipping before prototype computation to bound sensitivity, followed by isotropic Gaussian noise to enforce Local Differential Privacy (LDP). However, Isotropic Gaussian Prototype Perturbation (IGPP) typically over-perturbs discriminative dimensions and struggles to balance the clipping threshold with representation fidelity. In this paper, we propose VPDR, a client-side privacy plug-in that seamlessly integrates into existing ProtoPFLs. Motivated by the observation that dimension-wise class variance reflects discriminability, we introduce Variance-adaptive Prototype Perturbation (VPP), which allocates less noise to discriminative subspaces, preserving semantic separability while ensuring privacy. We further develop Distillation-guided Clipping Regularization (DCR), which enables feature norms to adaptively concentrate near the predefined clipping threshold while maintaining prediction consistency. Theoretical analysis shows that our groupwise mechanism provides privacy guarantees no weaker than the isotropic baseline under the same privacy constraints. Extensive experiments on multi-domain benchmarks demonstrate that VPDR achieves a superior privacy-utility trade-off, outperforming IGPP in personalized federated fine-tuning without sacrificing robustness against realistic attacks.
Authors: Bowen Sun, Chaozhuo Li, Yaodong Yang, Yiwei Wang, Chaowei Xiao
Abstract: Decompositional jailbreaks pose a critical threat to large language models (LLMs) by allowing adversaries to fragment a malicious objective into a sequence of individually benign queries that collectively reconstruct prohibited content. In real-world deployments, LLMs face a continuous, untraceable stream of fully anonymized and arbitrarily interleaved requests, infiltrated by covertly distributed adversarial queries. Under this rigorous threat model, state-of-the-art defensive strategies exhibit fundamental limitations. In the absence of trustworthy user metadata, they are incapable of tracking global historical contexts, while their deployment of generative models for real-time monitoring introduces computationally prohibitive overhead. To address this, we present TwinGate, a stateful dual-encoder defense framework. TwinGate employs Asymmetric Contrastive Learning (ACL) to cluster semantically disparate but intent-matched malicious fragments in a shared latent space, while a parallel frozen encoder suppresses false positives arising from benign topical overlap. Each request requires only a single lightweight forward pass, enabling the defense to execute in parallel with the target model's prefill phase at negligible latency overhead. To evaluate our approach and advance future research, we construct a comprehensive dataset of over 3.62 million instructions spanning 8,600 distinct malicious intents. Evaluated on this large-scale corpus under a strictly causal protocol, TwinGate achieves high malicious intent recall at a remarkably low false positive rate while remaining highly robust against adaptive attacks. Furthermore, our proposal substantially outperforms stateful and stateless baselines, delivering superior throughput and reduced latency.
Authors: Max Lovig
Abstract: In modern parametric model training, full-batch gradient descent (and its variants) suffers due to progressively stronger biasing towards the exact realization of training data; this drives the systematic ``generalization gap'', where the train error becomes an unreliable proxy for test error. Existing approaches either argue this gap is benign through complex analysis or sacrifice data to a validation set. In contrast, we introduce decoupled descent (DD), a novel theory-based training algorithm that satisfies a train-test identity -- enforcing the train error to asymptotically track the test error for stylized Gaussian mixture models. Within this specific regime, leveraging approximate message passing theory, DD iteratively cancels the biases due to data reuse, rigorously demonstrating the feasibility of zero-cost validation and $100\%$ data utilization. Moreover, DD is governed by a low-dimensional state evolution recursion, rendering the dynamics of the algorithm transparent and tractable. We validate DD on XOR classification, yielding superior performance compared to GD; additionally, we implement noisy MNIST and non-linear probing of CIFAR-10, demonstrating that even when our stylized assumptions are relaxed, DD narrows the generalization gap compared to GD.
Authors: Simon Dennis, Michael Diamond, Rivaan Patil, Kevin Shabahang, Hao Guo
Abstract: Agent orchestration frameworks -- LangGraph, CrewAI, Google ADK, OpenAI Agents SDK, and others -- place an external orchestrator above the LLM, tracking state and injecting routing instructions at every turn. We present a controlled comparison showing that for procedural tasks, this architecture is dominated by a simpler alternative: putting the entire procedure in the system prompt and letting the model self-orchestrate. Across three domains -- travel booking (14 nodes), Zoom technical support (14 nodes), and insurance claims processing (55 nodes) -- we evaluate 200 conversations per condition using LLM-as-judge scoring on five quality criteria. The in-context approach scores 4.53--5.00 on a 5-point scale while a LangGraph orchestrator using the same model scores 4.17--4.84. The orchestrated system fails on 24% of travel, 9% of Zoom, and 17% of insurance conversations, compared to 11.5%, 0.5%, and 5% for the in-context baseline. While external orchestration may have been necessary for earlier models, advances in frontier model capabilities have made it unnecessary for multi-turn conversations following a defined procedure.
Authors: Yanwu Gu, Linglong Kong, Dong Xia
Abstract: The rapidly expanding artificial intelligence (AI) industry has produced diverse yet powerful prediction tools, each with its own network architecture, training strategy, data-processing pipeline, and domain-specific strengths. These tools create new opportunities for semi-supervised inference, in which labeled data are limited and expensive to obtain, whereas unlabeled data are abundant and widely available. Given a collection of predictors, we treat them as a mixture of experts (MOE) and introduce an MOE-powered semi-supervised inference framework built upon prediction-powered inference (PPI). Motivated by the variance reduction principle underlying PPI, the proposed framework seeks the mixture of experts that achieves the smallest possible variance. Compared with standard PPI, the MOE-powered inference framework adapts to the unknown performance of individual predictors, benefits from their collective predictive power, and enjoys a best-expert guarantee. The framework is flexible and applies to mean estimation, linear regression, quantile estimation, and general M-estimation. We develop non-asymptotic theory for the MOE-powered inference framework and establish upper bounds on the coverage error of the resulting confidence intervals. Numerical experiments demonstrate the practical effectiveness of MOE-powered inference and corroborate our theoretical findings.
Authors: Rui Xu, Yi Chen, Sihong Xie, Hui Xiong
Abstract: When language models lack relevant knowledge for a given query, they frequently generate plausible responses that can be hallucinations, rather than admitting being agnostic about the answer. Retraining models to reward admitting ignorance can lead to overly conservative behaviors and poor generalization due to scarce evaluation benchmarks. We propose a post hoc framework, Conformal Abstention (CA), adapted from conformal prediction (CP) to determine whether to abstain from answering a query. CA provides finite-sample guarantees on both the probability of participation (i.e., not abstaining) and the probability that the generated response is correct. Importantly, the abstention decision relies on prediction confidence rather than the non-conformity scores used in CP, which are intractable for open-ended generation. To better align prediction confidence with the model's ignorance, we introduce a calibration strategy using representation geometry within the model to measure knowledge involvement in shaping the response. Experiments demonstrate that we improve selective answering significantly with 75 percent conditional correctness.
Authors: Alexis Kafantaris
Abstract: In this paper an attractor FCM is created, tested, and analyzed. This FCM is neither a hebbian based nor agentic, nor a hybrid; it rather is a gradient descent based, physics constrained, Jacobian version of an FCM. Moreover, this model has several quirks; it uses residual memory, back propagation through time, and a fixed point anchor that is recursively implemented to update its weights. The residuals update the recursive part without losing the system memory. The model's anchor enables it to converge in a fixed point for which back propagation through time unrolls it and ensures that the error minimization is for an accurate gradient. Furthermore, a new learning algorithm is utilized. The Newton's method finds the system's fixed point attractor and then gradient descend is adaptively changing the landscape; an adaptive term is used to directly manipulate the weights through the attractor dynamics. As the adaptive term changes, the descent through the landscape is constantly adjusting according to sigmoid saturation, and that prevents premature convergence to a local minimum. Lastly, the updates are filtered by causal mask that informs the network about the physics, respecting the initial expert based opinions, for which model reduces the error to the target in an efficient way.
Authors: Wentao Hou, Yimin Bai, Zelei Luo, Jiadong Hong, Lei Liu
Abstract: Joint image compression and wireless transmission remain relatively underexplored compared to generic image restoration, despite its importance in practical communication systems. We formulate this problem under an equivalent linear model, and propose Diffusion-OAMP, a training-free reconstruction framework that embeds a pre-trained diffusion model into the OAMP algorithm. In Diffusion-OAMP, the OAMP linear estimator produces pseudo-AWGN observations, while the diffusion model serves as a nonlinear estimator under an SNR-matching rule. This framework offers a way to incorporate multiple generative priors into OAMP. Experiments with varying compression ratios and noise levels show that Diffusion-OAMP performs favorably against classic methods in the evaluated settings.
Authors: Hanane Nour Moussa, Yifei Li, Zhuoyang Li, Yankai Yang, Cheng Tang, Tianshu Zhang, Nesreen K. Ahmed, Ali Payani, Ziru Chen, Huan Sun
Abstract: Despite recent progress in language models and agents for scientific data-driven discovery, further advancing their capabilities is held back by the absence of verifiable environments representing real-world scientific tasks.To fill this gap, we introduce D3-Gym, the first automatically constructed dataset with verifiable environments for scientific Data-Driven Discovery. D3-Gym comprises (1) 565 tasks sourced from 239 real scientific repositories across four disciplines where (2) each task is equipped with a natural language instruction, an executable environment with pre-installed dependencies, input dataset and artifact previews, a reference code solution, and an automatically synthesized evaluation script. Rigorous evaluation of the quality of the verification signal in D3-Gym confirms that our evaluation scripts achieve 87.5% agreement with human-annotated gold standards and strong alignment in domain-specific evaluation logic, showing their scientific soundness. Further, training on trajectories sampled from D3-Gym yields consistent and substantial gains across Qwen3 models of varying sizes on ScienceAgentBench, boosting Qwen3-32B by 7.8 absolute points and substantially shrinking the gap with strong proprietary models. All D3-Gym artifacts (environments, creation workflow, trajectories, and models) can be found at https://github.com/OSU-NLP-Group/D3-Gym.
Authors: Linjie Lyu, Ayush Tewari, Jianchun Chen, Thomas Leimk\"uhler, Christian Theobalt
Abstract: 3D Gaussian Splatting has emerged as a powerful scene representation for real-time novel-view synthesis. However, its standard adaptive density control relies on screen-space positional gradients, which do not distinguish between geometric misplacement and frequency aliasing, often leading to either over-blurred high-frequency textures or inefficient over-densification. We present a structure-aware densification framework. Our key insight is that the decision to subdivide a Gaussian should be driven by an explicit comparison between its projected screen-space extent and the local structure of the texture it seeks to represent. We introduce a multi-scale frequency analysis combining structure tensors with Laplacian scale space analysis to estimate the dominant frequency at each pixel, enabling robust supervision across varying texture scales. Based on this analysis, we define $\eta$, a per-Gaussian, per-axis frequency violation metric that indicates when a primitive may be under-resolving local texture details. Unlike methods that perform isotropic splitting (e.g., splitting each Gaussian into two smaller ones with uniform shape), our approach performs anisotropic splitting. For each axis with high $\eta$, we compute a split factor to better resolve the local frequency content. We further introduce a multiview consistency criterion that aggregates $\eta$ observations across multiple views. By performing densification early and faster, we skip the lengthy iterative densification phases required by baseline methods and achieve significantly faster convergence. Experiments on standard benchmarks demonstrate that our method also achieves superior reconstruction quality, particularly in high-frequency regions.
Authors: Ahmed Hossain, Xiaoduan Sun, Subasish Das
Abstract: Although intersections are the most complex parts of the roadway network, pedestrian crashes at non-intersection locations are disproportionately frequent, highlighting a serious traffic safety concern. This study investigates non-intersection crashes involving pedestrians using a crash database (2017-2021) collected from Louisiana State. As the risk of pedestrian crashes tends to vary with distance from the intersection, the research team utilized a unique framework "distance to intersection" to capture the differences in crash patterns at non-intersection locations. The study identified that around 50% of non-intersection pedestrian crashes occurred within 198 ft. of the intersection. In the next step, the collected 3,135 pedestrian crashes at non-intersection locations during the study period were subdivided into three zones: D1 zone designates crashes occurring within 150 ft. of an intersection (1,277 crashes), D2 zone designates crashes occurring within 151 ft. to 435 ft. of an intersection (1,060 crashes) and D3 zone designates crashes occurring at 435 ft. or higher from an intersection (798 crashes). To explore the complex interaction of multiple factors, an intuitive data mining technique, Association Rules Mining was used. A total of the top 60 interesting association rules (20 for each zone) were identified by the algorithm (based on lift and support measures). In addition, a total of 124 rules were explored based on Lift Increase Criterion (LIC) measure. The findings of this research provide critical insights into pedestrian crash involvement at non-intersection locations and the variation in crash patterns according to the "distance to intersection". Based on the findings, some of the targeted problem-specific countermeasures are also recommended to address the crash patterns at non-intersection locations.
Authors: An-Yang Ji, Jun-Peng Jiang, De-Chuan Zhan, Han-Jia Ye
Abstract: Large Language Models (LLMs) have advanced Table Question Answering, where most queries can be answered by extracting information or simple aggregation. However, a common class of real-world queries is implicitly predictive, requiring the inference of unobserved answers from historical patterns rather than mere retrieval. These queries introduce two challenges: recognizing latent intent and reliable predictive reasoning over massive tables. To assess LLMs in such Tabular questiOn answering with implicit Prediction tasks, we introduce TopBench, a benchmark consisting of 779 samples across four sub-tasks, ranging from single-point prediction to decision making, treatment effect analysis, and complex filtering, requiring models to generate outputs spanning reasoning text and structured tables. We evaluate diverse models under both text-based and agentic workflows. Experiments reveal that current models often struggle with intent recognition, defaulting to just lookups. Deeper analysis identifies that accurate intent disambiguation serves as the prerequisite for leading these predictive behaviors. Furthermore, elevating the upper bound of prediction precision requires the integration of more sophisticated modeling or reasoning capabilities.
Authors: Sigma Jahan, Saurabh Singh Rajput, Tushar Sharma, Mohammad Masudur Rahman
Abstract: Transformer models are widely deployed in critical AI applications, yet faults in their attention mechanisms, projections, and other internal components often degrade behavior silently without raising runtime errors. Existing fault diagnosis techniques often target generic deep neural networks and cannot identify which transformer component is responsible for an observed symptom. In this article, we present DEFault++, a hierarchical learning-based diagnostic technique that operates at three level of abstraction: it detects whether a fault is present, classifies it into one of 12 transformer-specific fault categories (covering both attention-internal mechanisms and surrounding architectural components), and identifies the underlying root cause from up to 45 mechanisms. To facilitate both training and evaluation, we construct DEFault-bench, a benchmark of 3,739 labeled instances obtained through systematic mutation testing. These instances are created across seven transformer models and nine downstream tasks using DEForm, a transformer-specific mutation technique we developed for this purpose. DEFault++ measures runtime behavior at the level of individual transformer components. It organizes these measurements through a Fault Propagation Graph (FPG) derived from the transformer architecture. It then produces an interpretable diagnosis using prototype matching combined with supervised contrastive learning. On DEFault-bench, DEFault++ exceeds an AUROC of 0.96 for detection and a Macro-F1 of 0.85 for both categorization and root-cause diagnosis on encoder and decoder architectures. In a developer study with 21 practitioners, the accuracy of choosing correct repair actions increased from 57.1% without support to 83.3% when using DEFault++.
Authors: Andrew Bond, Ilkin Umut Melanlioglu, Erkut Erdem, Aykut Erdem
Abstract: Modern visual world modeling systems increasingly rely on high-capacity architectures and large-scale data to produce plausible motion, yet they often fail to preserve underlying 3D geometry or physically consistent camera dynamics. A key limitation lies not only in model capacity, but in the latent representations used to encode geometric structure. We propose S$^2$VAE, a geometry-first latent learning framework that focuses on compressing and representing the latent 3D state of a scene, including camera motion, depth, and point-level structure, rather than modeling appearance alone. Building on representations from a Visual Geometry Grounded Transformer (VGGT), we introduce a novel type of variational autoencoder using a product of Power Spherical latent distributions, explicitly enforcing hyperspherical structure in the bottleneck to preserve directional and geometric semantics under strong compression. Across depth estimation, camera pose recovery, and point cloud reconstruction, we show that geometry-aligned hyperspherical latents consistently outperform conventional Gaussian bottlenecks, particularly in high-compression regimes. Our results highlight latent geometry as a first-class design choice for physically grounded visual and world models.
Authors: Silvio Martinico, Franco Maria Nardini, Cosimo Rulli, Rossano Venturini
Abstract: Multivector retrieval models achieve state-of-the-art effectiveness through fine-grained token-level representations, but their deployment incurs substantial computational and memory costs. Current solutions, based on the well-known k-means clustering algorithm, group similar vectors together to enable both effective compression and efficient retrieval. However, standard k-means scales poorly with the number of clusters and dataset size, and favours frequent tokens during training while underrepresenting rare, discriminative ones. In this work, we introduce TACHIOM, a multivector retrieval system that exploits token-level structure to significantly accelerate both clustering and retrieval. By accounting for tokens' distribution during centroid allocation, TACHIOM easily scales to millions of centroids, enabling highly accurate document scoring using only centroids, avoiding expensive token-level computation. TACHIOM combines a graph-based index over centroids with an optimized Product Quantization layout for efficient final scoring. Experiments on MS-MARCOv1 and LoTTE show that TACHIOM achieves up to $247\times$ faster clustering than k-means and up to $9.8\times$ retrieval speedup over state-of-the-art systems while maintaining comparable or superior effectiveness.
Authors: Binghao Huang, Yunzhu Li
Abstract: We present FlexiTac, a low-cost, open-source, and scalable piezoresistive tactile sensing solution designed for robotic end-effectors. FlexiTac is a practical "plug-in" module consisting of (i) thin, flexible tactile sensor pads that provide dense tactile signals and (ii) a compact multi-channel readout board that streams synchronized measurements for real-time control and large-scale data collection. FlexiTac pads adopt a sealed three-layer laminate stack (FPC-Velostat-FPC) with electrode patterns directly integrated into flexible printed circuits, substantially improving fabrication throughput and repeatability while maintaining mechanical compliance for deployment on both rigid and soft grippers. The readout electronics use widely available, low-cost components and stream tactile signals to a host computer at 100 Hz via serial communication. Across multiple configurations, including fingertip pads and larger tactile mats, FlexiTac can be mounted on diverse platforms without major mechanical redesign. We further show that FlexiTac supports modern tactile learning pipelines, including 3D visuo-tactile fusion for contact-aware decision making, cross-embodiment skill transfer, and real-to-sim-to-real fine-tuning with GPU-parallel tactile simulation. Our project page is available at https://flexitac.github.io/.
Authors: Daniel Waxman, Fernando Llorente, Petar M. Djuri\'c
Abstract: The proliferation of capable and efficient machine learning (ML) models marks one of the strongest methodological shifts in signal processing (SP) in its nearly 100-year history. ML models support the development of SP systems that represent complex, nonlinear relationships with high predictive accuracy. Adapting these models often requires sequential inference, which differs both theoretically and methodologically from the usual paradigm of ML, where data are often assumed independent and identically distributed. Gaussian processes (GPs) are a flexible yet principled framework for modeling random functions, and they have become increasingly relevant to SP as statistical and ML methods assume a more prominent role. We provide a self-contained, tutorial-style overview of GPs, with a particular focus on recent methodological advances in sequential, incremental, or streaming inference. We introduce these techniques from a signal-processing perspective while bridging them to recent advances in ML. Many of the developments we survey have direct applications to state-space modeling, sequential regression and forecasting, anomaly detection in time series, sequential Bayesian optimization, adaptive and active sensing, and sequential detection and decision-making. By organizing these advances from a signal-processing perspective, we intend to equip practitioners with practical tools and a coherent roadmap for deploying sequential GP models in real-world systems.
Authors: Grace T. Bai, Brandon B. Le
Abstract: In this study, we use machine learning to classify and interpolate the phase structure of the Vicsek flocking model across the three-dimensional parameter space $(\eta,\rho,v_0)$. We construct a dataset of simulated parameter points and characterize each point using long-time dynamical observables. These observables are then used as inputs to a K-Means clustering procedure, which assigns each point to a disorder, order, or coexistence phase. Using these clustered labels, we train a neural-network classifier to learn the mapping from model parameters to phase behavior, achieving a classification accuracy of 0.92. The resulting phase map resolves a narrow coexistence region separating the ordered and disordered phases and extends the inferred phase boundaries beyond the originally sampled simulation points. More broadly, this approach provides a systematic way to convert sparse simulation data into a global phase diagram for collective-motion models.
Authors: Sriram Narayanan, Ziyu Jiang, Srinivasa Narasimhan, Manmohan Chandraker
Abstract: Modern video diffusion models excel at appearance synthesis but still struggle with physical consistency: objects drift, collisions lack realistic rebound, and material responses seldom match their underlying properties. We present PhyCo, a framework that introduces continuous, interpretable, and physically grounded control into video generation. Our approach integrates three key components: (i) a large-scale dataset of over 100K photorealistic simulation videos where friction, restitution, deformation, and force are systematically varied across diverse scenarios; (ii) physics-supervised fine-tuning of a pretrained diffusion model using a ControlNet conditioned on pixel-aligned physical property maps; and (iii) VLM-guided reward optimization, where a fine-tuned vision-language model evaluates generated videos with targeted physics queries and provides differentiable feedback. This combination enables a generative model to produce physically consistent and controllable outputs through variations in physical attributes-without any simulator or geometry reconstruction at inference. On the Physics-IQ benchmark, PhyCo significantly improves physical realism over strong baselines, and human studies confirm clearer and more faithful control over physical attributes. Our results demonstrate a scalable path toward physically consistent, controllable generative video models that generalize beyond synthetic training environments.
Authors: Emma Andrews, Sahan Sanjaya, Prabhat Mishra
Abstract: Machine learning models can learn from data samples to carry out various tasks efficiently. When data samples are adversarially manipulated, such as by insertion of carefully crafted noise, it can cause the model to make mistakes. Quantum machine learning models are also vulnerable to such adversarial attacks, especially in image classification using variational quantum classifiers. While there are promising defenses against these adversarial perturbations, such as training with adversarial samples, they face practical limitations. For example, they are not applicable in scenarios where training with adversarial samples is either not possible or can overfit the models on one type of attack. In this paper, we propose an adversarial training-free defense framework that utilizes a quantum autoencoder to purify the adversarial samples through reconstruction. Moreover, our defense framework provides a confidence metric to identify potentially adversarial samples that cannot be purified the quantum autoencoder. Extensive evaluation demonstrates that our defense framework can significantly outperform state-of-the-art in prediction accuracy (up to 68%) under adversarial attacks.
Authors: Tao Ge, Baolin Peng, Hao Cheng, Jianfeng Gao
Abstract: Realistic long-horizon productivity work is strongly conditioned on user-specific computer environments, where much of the work context is stored and organized through directory structures and content-rich artifacts. To scale synthetic data creation for such productivity scenarios, we introduce Synthetic Computers at Scale, a scalable methodology for creating such environments with realistic folder hierarchies and content-rich artifacts (e.g., documents, spreadsheets, and presentations). Conditioned on each synthetic computer, we run long-horizon simulations: one agent creates productivity objectives that are specific to the computer's user and require multiple professional deliverables and about a month of human work; another agent then acts as that user and keeps working across the computer -- for example, navigating the filesystem for grounding, coordinating with simulated collaborators, and producing professional artifacts -- until these objectives are completed. In preliminary experiments, we create 1,000 synthetic computers and run long-horizon simulations on them; each run requires over 8 hours of agent runtime and spans more than 2,000 turns on average. These simulations produce rich experiential learning signals, whose effectiveness is validated by significant improvements in agent performance on both in-domain and out-of-domain productivity evaluations. Given that personas are abundant at billion scale, this methodology can in principle scale to millions or even billions of synthetic user worlds with sufficient compute, enabling broader coverage of diverse professions, roles, contexts, environments, and productivity needs. We argue that scalable synthetic computer creation, together with at-scale simulations, is highly promising as a foundational substrate for agent self-improvement and agentic reinforcement learning in long-horizon productivity scenarios.
Authors: Mingyang Liu, Gabriele Farina, Asuman Ozdaglar
Abstract: Most familiar equilibrium concepts, such as Nash and correlated equilibrium, guarantee only that no single player can improve their utility by deviating unilaterally. They offer no guarantees against profitable coordinated deviations by coalitions. Although the literature proposes solution concepts that provide stability against multilateral deviations (\emph{e.g.}, strong Nash and coalition-proof equilibrium), these generally fail to exist. In this paper, we study an alternative solution concept that minimizes coalitional deviation incentives, rather than requiring them to vanish, and is therefore guaranteed to exist. Specifically, we focus on minimizing the average gain of a deviating coalition, and extend the framework to weighted-average and maximum-within-coalition gains. In contrast, the minimum-gain analogue is shown to be computationally intractable. For the average-gain and maximum-gain objectives, we prove a lower bound on the complexity of computing such an equilibrium and present an algorithm that matches this bound. Finally, we use our framework to solve the \emph{Exploitability Welfare Frontier} (EWF), the maximum attainable social welfare subject to a given exploitability (the maximum gain over all unilateral deviations).
Authors: Chengyang Huang, Siddhartha Srivastava, Kenneth K. Y. Ho, Kathy E. Luker, Gary D. Luker, Xun Huan, Krishna Garikipati
Abstract: Inverse reinforcement learning (IRL) is a powerful paradigm for uncovering the incentive structure that drives agent behavior, by inferring an unknown reward function from observed trajectories within a Markov decision process (MDP). However, most existing IRL methods require access to the transition function, either prescribed or estimated \textit{a priori}, which poses significant challenges when the underlying dynamics are unknown, unobservable, or not easily sampled. We propose Fokker--Planck inverse reinforcement learning (FP-IRL), a novel physics-constrained IRL framework tailored for systems that can be described by Fokker--Planck (FP) dynamics. FP-IRL simultaneously infers both the reward and transition functions directly from trajectory data, without requiring access to sampled transitions. Our method leverages a correspondence between MDPs and the FP equation, linking reward maximization in MDPs with free energy minimization in FP dynamics. This connection enables inference of the FP potential function using our inference approach of variational system identification, from which the full set of MDP components -- reward, transition, and policy -- can be recovered using analytic expressions. We demonstrate the effectiveness of FP-IRL through experiments on synthetic benchmarks and a modified version of the Mountain Car problem. Our results show that FP-IRL achieves accurate recovery of agent incentives while preserving computational efficiency and physical interpretability.
Authors: Lu Yin, Ajay Jaiswal, Shiwei Liu, Souvik Kundu, Zhangyang Wang
Abstract: We present Junk DNA Hypothesis by adopting a novel task-centric angle for the pre-trained weights of large language models (LLMs). It has been believed that weights in LLMs contain significant redundancy, leading to the conception that a considerable chunk of the parameters can be removed by pruning without compromising performance. Contrary to this belief, this paper presents a counter-argument: small-magnitude weights of pre-trained model weights encode vital knowledge essential for tackling difficult downstream tasks - manifested as the monotonic relationship between the performance drop of downstream tasks across the difficulty spectrum, as we prune more pre-trained weights by magnitude. Moreover, we reveal that these seemingly inconsequential weights can result in irreparable loss of knowledge and performance degradation in difficult tasks, even when downstream continual training is allowed. Interestingly, our evaluations show that the other popular compression, namely quantization, fails to exhibit similar monotonic effect and does not as convincingly disentangle this task-difficulty information. To study formally, we introduce several quantifiable metrics to gauge the downstream task difficulty: (1) within the same task category, and (2) across different task categories. Our extensive experiments substantiate the Junk DNA Hypothesis across a diverse range of model sizes, tasks, datasets, and even pruning methods. Codes are available at: https://github.com/VITA-Group/Junk_DNA_Hypothesis.git.
URLs: https://github.com/VITA-Group/Junk_DNA_Hypothesis.git.
Authors: David J. Schodt, Ryan Brown, Michael Merritt, Samuel Park, Delsin Menolascino, Mark A. Peot
Abstract: Obtaining heteroscedastic predictive uncertainties from a Bayesian Neural Network (BNN) is vital to many applications. Often, heteroscedastic aleatoric uncertainties are learned as outputs of the BNN in addition to the predictive means, however doing so may necessitate adding more learnable parameters to the network. In this work, we demonstrate that both the heteroscedastic aleatoric and epistemic variance can be embedded into the variances of learned BNN parameters, improving predictive performance for lightweight networks. By complementing this approach with a moment propagation approach to inference, we introduce a relatively simple framework for sampling-free variational inference suitable for lightweight BNNs.
Authors: Pavlin G. Poli\v{c}ar, Bla\v{z} Zupan
Abstract: Two-dimensional embeddings obtained from dimensionality reduction techniques such as MDS, t-SNE, or UMAP, are widely used to visualize high-dimensional data and support researchers in visually identifying clusters, outliers, and other interesting patterns in the data. However, the main challenge is not only to detect such patterns, but to explain what they represent in terms of the original, human-interpretable features of the data. Existing approaches often rely on interactive exploration or direct feature encodings, requiring substantial manual inspection that can be time-consuming and repetitive. As an alternative, we propose VERA (Visual Explanations via Region Annotation), a general-purpose method for explaining two-dimensional embeddings through automatically generated, static, region-based visual explanations. VERA identifies informative regions in the embedding space and associates them with user-provided human-interpretable features, producing concise visual annotations that summarize the structure of the embedding landscape at a glance. Rather than merely showing where feature values occur, VERA automatically filters, merges, and ranks candidate explanations, enabling users to focus on the most informative embedding structures without manual exploration. We demonstrate VERA's utility on several real-world datasets and evaluate its effectiveness in a user study comparing it with the utility of a comprehensive interactive data mining toolkit. Our results show that VERA's generated static explanations can convey the essential insights of complex embeddings and support users in typical exploratory data analysis tasks, while requiring significantly less time and user effort.
Authors: Mengjie Fan, Jinlu Yu, Daniel Weiskopf, Nan Cao, Huai-Yu Wang, Liang Zhou
Abstract: We introduce a visual analysis method for multiple causal graphs with different outcome variables, namely, multi-outcome causal graphs. Multi-outcome causal graphs are important in healthcare for understanding multimorbidity and comorbidity. To support the visual analysis, we collaborated with medical experts to devise two comparative visualization techniques at different stages of the analysis process. First, a progressive visualization method is proposed for comparing multiple state-of-the-art causal discovery algorithms. The method can handle mixed-type datasets comprising both continuous and categorical variables and assist in the creation of a fine-tuned causal graph of a single outcome. Second, a comparative graph layout technique and specialized visual encodings are devised for the quick comparison of multiple causal graphs. In our visual analysis approach, analysts start by building individual causal graphs for each outcome variable, and then, multi-outcome causal graphs are generated and visualized with our comparative technique for analyzing differences and commonalities of these causal graphs. Evaluation includes quantitative measurements on benchmark datasets, a case study with a medical expert, and expert user studies with real-world health research data.
Authors: Chenguang Lu
Abstract: The Variational Bayesian method (VB) is used to solve the probability distributions of latent variables with the minimum free energy criterion. This criterion is not easy to understand, and the computation is complex. For these reasons, this paper proposes the Semantic Variational Bayes' method (SVB). The Semantic Information Theory the author previously proposed extends the rate-distortion function R(D) to the rate-fidelity function R(G), where R is the minimum mutual information for given semantic mutual information G. SVB came from the parameter solution of R(G), where the variational and iterative methods originated from Shannon et al.'s research on the rate-distortion function. The constraint functions SVB uses include likelihood, truth, membership, similarity, and distortion functions. SVB uses the maximum information efficiency (G/R) criterion, including the maximum semantic information criterion for optimizing model parameters and the minimum mutual information criterion for optimizing the Shannon channel. For the same tasks, SVB is computationally simpler than VB. The computational experiments in the paper include 1) using a mixture model as an example to show that the mixture model converges as G/R increases; 2) demonstrating the application of SVB in data compression with a group of error ranges as the constraint; 3) illustrating how the semantic information measure and SVB can be used for maximum entropy control and reinforcement learning in control tasks with given range constraints, providing numerical evidence for balancing control's purposiveness and efficiency. Further research is needed to apply SVB to neural networks and deep learning.
Authors: Maryam Khalid, Fadeel Sher Khan, John Broussard, Arko Barman
Abstract: Early diagnosis and discovery of therapeutic drug targets are crucial objectives for effective management of Alzheimer's Disease (AD). Current approaches for AD diagnosis and treatment planning are based on radiological imaging and largely inaccessible for population-level screening due to prohibitive costs and limited availability. Recently, blood tests have shown promise in diagnosing AD and highlighting possible biomarkers that can be used as drug targets for AD management. Blood tests are significantly more accessible to disadvantaged populations, cost-effective, and minimally invasive. However, biomarker discovery in the context of AD diagnosis is complex as there exist important associations between various biomarkers. Here, we introduce BRAIN (Biomarker Representation, Analysis, and Interpretation Network), a novel machine learning (ML) framework to jointly optimize diagnostic accuracy and biomarker discovery processes to identify all relevant biomarkers that contribute to AD diagnosis. Using a holistic graph-based representation for biomarkers, we highlight their interdependencies and explain why different ML models identify different discriminative biomarkers. We apply BRAIN to a publicly available blood biomarker dataset, revealing three novel biomarker subnetworks whose interactions vary between the control and AD groups, offering a new paradigm for drug discovery and biomarker analysis for AD.
Authors: Yuqi Li, Xingyou Lin, Yanli Li, Kai Zhang, Chuanguang Yang, Zhongliang Guo, Jianping Gou, Tingwen Huang, Yingli Tian
Abstract: As a special type of multimedia data, Lithography Hotspot Detection (LHD) training often requires stronger privacy protection than conventional multimedia data, and federated learning provides a promising potential solution to this challenge. However, existing approaches rely solely on either parameter aggregation or Knowledge Distillation (KD), failing to fully exploit the potential of collaborative learning. To address this, we propose FedKD-hybrid, a novel framework that synergizes the strengths of both paradigms. Specifically, FedKD-hybrid utilizes a public dataset to facilitate consensus, where clients exchange both parameters of agreed-upon layers and logits. This hybrid information is aggregated to refine local models, enhancing knowledge transfer. Extensive experiments on ICCAD-2012 and real-world FAB datasets demonstrate that FedKD-hybrid consistently outperforms state-of-the-art methods in both effectiveness and robustness.
Authors: Mingyuan Wang, Yangzi Guo, Sida Liu, Yuhang Liu
Abstract: The remarkable performance of modern deep neural networks (DNNs) is largely driven by their massive scale, often comprising tens to hundreds of millions-or even billions-of parameters. However, such a scale incurs substantial storage and computational costs, hindering deployment on platforms such as edge devices that require energy-efficient and real-time processing. In this paper, we propose a network pruning framework that reduces both storage and computation requirements by an order of magnitude while preserving model accuracy. Our approach eliminates non-essential parameters through a statistical analysis of component significance across classification categories. Specifically, we employ a F-statistic-based screening technique combined with a weighted evaluation scheme to quantify the contributions of connections and channels, enabling both unstructured and structured pruning within a unified framework. Extensive experiments on real-world vision datasets, covering both fully connected neural networks (FNNs) and convolutional neural networks (CNNs), demonstrate that the proposed framework produces compact and efficient models that are highly competitive with the state of art apporoaches.
Authors: Nachiket Kapure, Harsh Joshi, Rajeshwari Mistri, Parul Kumari, Manasi Mali, Seema Purohit, Neha Sharma, Mrityunjoy Panday, Chittaranjan S. Yajnik
Abstract: Birth weight serves as a fundamental indicator of neonatal health, closely linked to both early medical interventions and long-term developmental risks. Traditional predictive models, often constrained by limited feature selection and incomplete datasets, struggle to achieve overlooking complex maternal and fetal interactions in diverse clinical settings. This research explores machine learning to address these limitations, utilizing a structured methodology that integrates advanced imputation strategies, supervised feature selection techniques, and predictive modeling. Given the constraints of the dataset, the research strengthens the role of data preprocessing in improving the model performance. Among the various methodologies explored, tree-based feature selection methods demonstrated superior capability in identifying the most relevant predictors, while ensemble-based regression models proved highly effective in capturing non-linear relationships and complex maternal-fetal interactions within the data. Beyond model performance, the study highlights the clinical significance of key physiological determinants, offering insights into maternal and fetal health factors that influence birth weight, offering insights that extend over statistical modeling. By bridging computational intelligence with perinatal research, this work underscores the transformative role of machine learning in enhancing predictive accuracy, refining risk assessment and informing data-driven decision-making in maternal and neonatal care. Keywords: Birth weight prediction, maternal-fetal health, MICE, BART, Gradient Boosting, neonatal outcomes, Clinipredictive.
Authors: Simon Schmitt, John Shawe-Taylor, Hado van Hasselt
Abstract: Decision makers may suffer from uncertainty induced by limited data. This may be mitigated by accounting for epistemic uncertainty, which is however challenging to estimate efficiently for large neural networks. To this extent we investigate Delta Variances, a family of algorithms for epistemic uncertainty quantification, that is computationally efficient and convenient to implement. It can be applied to neural networks and more general functions composed of neural networks. As an example we consider a weather simulator with a neural-network-based step function inside -- here Delta Variances empirically obtain competitive results at the cost of a single gradient computation. The approach is convenient as it requires no changes to the neural network architecture or training procedure. We discuss multiple ways to derive Delta Variances theoretically noting that special cases recover popular techniques and present a unified perspective on multiple related methods. Finally we observe that this general perspective gives rise to a natural extension and empirically show its benefit.
Authors: Alessandro Daniele, Emile van Krieken
Abstract: A fundamental challenge in neurosymbolic systems is applying continuous gradient-based optimization to discrete logical domains. While fuzzy relaxations provide differentiability, they often lack a formal structural alignment with classical logic. In this work, we show that G\"odel semantics addresses this limitation through a homomorphism that maps its continuous interpretations to Boolean ones, allowing discrete variables to be encoded while maintaining full differentiability. Building on this foundation, we show that gradient-based optimization on G\"odel logic instantiates a discrete local search for Boolean satisfiability. Our formal analysis proves that each optimization step identifies and modifies a single variable within a unsatisfied clause, precisely mimicking the steps of a discrete solver. We identify local optima as the primary limitation of such dynamics and introduce the G\"odel Trick, a stochastic reparameterization technique designed to improve the exploration of the solution space. We further show a formal connection between this approach, probabilistic inference, and the Gumbel-Max trick. Experimental results on SAT benchmarks and the Visual Sudoku task validate our theoretical findings, demonstrating that our approach effectively navigates complex combinatorial landscapes and provides a solid foundation for differentiable discrete search.
Authors: Francesco D'Amico, Dario Bocchi, Matteo Negri
Abstract: Scaling laws in deep learning -- empirical power-law relationships linking model performance to resource growth -- have emerged as simple yet striking regularities across architectures, datasets, and tasks. These laws are particularly impactful in guiding the design of state-of-the-art models, since they quantify the benefits of increasing data or model size, and hint at the foundations of interpretability in machine learning. However, most studies focus on asymptotic behavior at the end of training. In this work, we describe a richer picture by analyzing the entire training dynamics: we identify two novel \textit{dynamical} scaling laws that govern how performance evolves as function of different norm-based complexity measures. Combined, our new laws recover the well-known scaling for test error at convergence. Our findings are consistent across CNNs, ResNets, and Vision Transformers trained on MNIST, CIFAR-10 and CIFAR-100. Furthermore, we provide analytical support using a single-layer perceptron trained with logistic loss, where we derive the new dynamical scaling laws, and we explain them through the implicit bias induced by gradient-based training.
Authors: Anton Bj\"orklund, Mykola Zaitsev, Paolo Morettin, Marta Kwiatkowska
Abstract: The growing reliance on artificial intelligence in safety- and security-critical applications is raising concerns about the robustness of neural networks to erroneous or adversarial input. Certification is a methodology for ensuring model trustworthiness by providing formal guarantees on model behaviour. While most verification methods focus on worst-case analysis by bounding the network output, an alternative approach based on approximating the preimage can complement such analysis by estimating the proportion of inputs that satisfy a given specification. However, existing preimage-based methods, such as the state-of-the-art PREMAP, are limited to fully connected neural networks of moderate dimensionality. In this paper, we introduce PREMAP2, a collection of algorithmic extensions to PREMAP that enhance its scalability and efficiency through improved branching heuristics, adaptive Monte Carlo sampling, and reverse bound propagation. We further endow PREMAP2 with additional functionality such as support for non-uniform priors and confidence intervals. These advances enable the application of PREMAP2 to previously intractable settings, including real-world patch attacks against convolutional neural networks, where adversarial stickers or lighting conditions obscure parts of images. We showcase the effectiveness of our approach across several use cases, including certifying reliability, robustness, interpretability, and fairness, on domains ranging from computer vision to control tasks. Our implementation is available as open-source software.
Authors: Kaiqi Wu, Weiyang Kong, Sen Zhang, Zitong Chen, Yubao Liu
Abstract: Traffic prediction is a critical task in spatial-temporal forecasting with broad applications in travel planning and urban management. To model the complex spatial-temporal dependencies in traffic data, Spatial-Temporal Graph Convolutional Networks (STGCNs) have been widely employed, achieving advanced performance. However, when applied to large-scale road networks, the quadratic computational complexity of traditional graph convolution operations severely limits their scalability. Several methods attempt to address this issue through approximation, compression, or spatial partitioning. Nevertheless, these methods often either fail to achieve sufficient computational efficiency or compromise prediction accuracy. To address these challenges, we propose a Regularized Adaptive Graph Convolution (RAGC) model. First, to ensure scalability on large road networks, we develop the Efficient Cosine Operator (ECO), which performs graph convolution based on the cosine similarity of node embeddings with linear time complexity. Second, we introduce a regularized adaptive graph convolution framework that combines Stochastic Shared Embedding (SSE) and adaptive graph convolution through a residual difference mechanism. This design enables the model to learn high-quality node embeddings, thereby improving prediction accuracy while maintaining computational efficiency. Extensive experiments on four large-scale real-world traffic datasets show that RAGC consistently outperforms state-of-the-art methods in terms of prediction accuracy and exhibits competitive computational efficiency. The code is available at: https://github.com/wkq-wukaiqi/RAGC.
Authors: Jingying Ma, Feng Wu, Qika Lin, Yucheng Xing, Chenyu Liu, Ziyu Jia, Mengling Feng
Abstract: Electroencephalography (EEG) provides real-time insights into brain activity and supports diverse applications in neuroscience. While EEG foundation models (EFMs) have emerged to address the scalability issues of task-specific models, current approaches still yield clinically uninterpretable and weakly discriminative representations, inefficiently capturing global dependencies and neglecting important local neural events. We present CodeBrain, a two-stage EFM designed to fill this gap. In the first stage, we introduce the TFDual-Tokenizer, which decouples heterogeneous temporal and frequency EEG signals into discrete tokens, quadratically expanding the representation space to enhance discriminative power and offering domain-specific representation-level interpretability by suggesting potential links to neural events and spectral rhythms. In the second stage, we propose the multi-scale EEGSSM architecture, which combines structured global convolution with sliding window attention to efficiently capture both sparse long-range and local dependencies, reflecting the brain's small-world topology. Pretrained on the largest public EEG corpus, CodeBrain achieves strong generalization across eight downstream tasks and ten datasets under distribution shifts, supported by comprehensive ablations, scaling-law analyzes, and interpretability evaluations. The code and the pretrained weights are available at https://github.com/jingyingma01/CodeBrain.
Authors: Perry Dong, Qiyang Li, Dorsa Sadigh, Chelsea Finn
Abstract: We study the problem of training and fine-tuning expressive policies with online reinforcement learning (RL) given an offline dataset. Training expressive policy classes with online RL present a unique challenge of stable value maximization. Unlike simpler Gaussian policies commonly used in online RL, expressive policies like diffusion and flow-matching policies are parameterized by a long denoising chain, which hinders stable gradient propagation from actions to policy parameters when optimizing against some value function. Our key insight is that we can address stable value maximization by avoiding direct optimization over value with the expressive policy and instead construct an on-the-fly RL policy to maximize Q-value. We propose Expressive Policy Optimization (EXPO), a sample-efficient online RL algorithm that utilizes an on-the-fly policy to maximize value with two parameterized policies -- a larger expressive base policy trained with a stable imitation learning objective and a light-weight Gaussian edit policy that edits the actions sampled from the base policy toward a higher value distribution. The on-the-fly policy optimizes the actions from the base policy with the learned edit policy and chooses the value maximizing action from the base and edited actions for both sampling and temporal-difference (TD) backup. Our approach yields up to 2-3x improvement in sample efficiency on average over prior methods both in the setting of fine-tuning a pretrained policy given offline data and in leveraging offline data to train online.
Authors: Zachary Robertson, Sanmi Koyejo
Abstract: We evaluate artificial intelligence (AI) systems without ground truth by exploiting a link between strategic gaming and information loss. Building on established information theory, we analyze which mechanisms resist adversarial manipulation. This motivates mutual evaluation, where the overseer is treated as a strategic player estimating mutual information by prompting, making truthful agent reporting an optimal strategy. We show that certain f-divergences, such as total variation distance (TVD), maintain polynomial guarantees under attack, building on an established exponential barrier for estimating mutual information (MI) in worst-case certification settings. Under adversarial attacks, TVD-MI maintains effectiveness (area under the curve 0.70--0.77) while other approaches can decay toward chance, demonstrating that prompting the same system for information relationships rather than quality judgments can improve robustness. The mechanisms decompose pairwise evaluations into reliable item-level detection scores without ground truth, addressing a key limitation of standard peer prediction. Pre-registration: https://osf.io/c7pum
URLs: https://osf.io/c7pum
Authors: Zhengyan Huan, Jacob Boerma, Li-Ping Liu, Shuchin Aeron
Abstract: We consider the problem of designing constraint-aware flow matching (FM) models that address the issue of constraint violations commonly observed in vanilla generative models. We consider two scenarios, viz.: (a) when a differentiable distance function to the constraint set is given, and (b) when the constraint set is only available via queries to a membership oracle. For case (a), we propose a simple adaptation of the FM objective with an additional term that penalizes the distance between the constraint set and the generated samples. For case (b), we propose to employ randomization and learn a mean flow that is numerically shown to have a high likelihood of satisfying the constraints. This approach deviates significantly from existing works that require simple convex constraints, knowledge of a barrier function, or a reflection mechanism to constrain the probability flow. Furthermore, in the proposed setting we show that a two-stage approach, where both stages approximate the same original flow but with only the second stage probing the constraints via randomization, is more computationally efficient than the corresponding one-stage approach. Through several synthetic cases of constrained generation, we numerically show that the proposed approaches achieve significant gains in terms of constraint satisfaction while matching the target distributions. As a showcase for a practical oracle-based constraint, we show how our approach can be used for training an adversarial example generator, using queries to a hard-label black-box classifier. We conclude with several future research directions. Our code is available at https://github.com/ZhengyanHuan/FM-RE.
Authors: Hugh Xuechen Liu, K{\i}van\c{c} Tatar
Abstract: Bipartite knowledge graphs in niche domains are typically data-poor and edge-sparse, which hinders link prediction. We introduce AEGIS (Authentic Edge Growth In Sparsity), an edge-only augmentation framework that resamples existing training edges -either uniformly simple or with inverse-degree bias degree-aware -thereby preserving the original node set and sidestepping fabricated endpoints. To probe authenticity across regimes, we consider naturally sparse graphs (game design pattern's game-pattern network) and induce sparsity in denser benchmarks (Amazon, MovieLens) via high-rate bond percolation. We evaluate augmentations on two complementary metrics: AUC-ROC (higher is better) and the Brier score (lower is better), using two-tailed paired t-tests against sparse baselines. On Amazon and MovieLens, copy-based AEGIS variants match the baseline while the semantic KNN augmentation is the only method that restores AUC and calibration; random and synthetic edges remain detrimental. On the text-rich GDP graph, semantic KNN achieves the largest AUC improvement and Brier score reduction, and simple also lowers the Brier score relative to the sparse control. These findings position authenticity-constrained resampling as a data-efficient strategy for sparse bipartite link prediction, with semantic augmentation providing an additional boost when informative node descriptions are available.
Authors: Lute Lillo, Nick Cheney
Abstract: In independent, identically distributed (i.i.d.) training regimes, activation functions have been benchmarked extensively, and their differences often shrink once model size and optimization are tuned. In continual learning, however, the picture is different: beyond catastrophic forgetting, models can progressively lose the ability to adapt (referred to as loss of plasticity) and the role of the non-linearity in this failure mode remains underexplored. We show that activation choice is a primary, architecture-agnostic lever for mitigating plasticity loss. Building on a property-level analysis of negative-branch shape and saturation behavior, we introduce two drop-in nonlinearities (Smooth-Leaky and Randomized Smooth-Leaky) and evaluate them in two complementary settings: (i) supervised class-incremental benchmarks and (ii) reinforcement learning with non-stationary MuJoCo environments designed to induce controlled distribution and dynamics shifts. We also provide a simple stress protocol and diagnostics that link the shape of the activation to the adaptation under change. The takeaway is straightforward: thoughtful activation design offers a lightweight, domain-general way to sustain plasticity in continual learning without extra capacity or task-specific tuning.
Authors: Aidan Acquah, Shing Chan, Aiden Doherty
Abstract: The use of accurate and reliable open-source human activity recognition (HAR) models on passively collected wrist-accelerometer data is essential in large-scale epidemiological studies that investigate the association between physical activity and health outcomes. While self-supervised learning has generated considerable excitement in improving HAR, the extent to which these models, coupled with hidden Markov models (HMMs), would make a tangible improvement to classification performance and the effect this may have on the predicted daily activity intensity compositions is unknown. Using up to 24 hours of wrist-worn accelerometer data from 151 CAPTURE-24 participants (aged 18 - 91, mean age 42, 66% female), we trained the ActiNet model, consisting HARNet, a self-supervised, 18-layer, modified ResNet-V2 model, followed by hidden Markov model (HMM) smoothing to classify labels of activity intensity. The performance of this model, evaluated using 5-fold stratified group cross-validation, was then compared to a baseline random forest (RF) + HMM, established in existing literature. Differences in performance and classification outputs were compared with different subgroups of age and sex within the CAPTURE-24 population. The ActiNet model was able to distinguish labels of activity intensity with a mean macro F1 score of 0.82 and a mean Cohen's kappa score of 0.86. This exceeded the performance of the RF + HMM, trained and validated on the same dataset, with mean scores of 0.76 and 0.80, respectively. The improvements in performance were consistent across subgroups of age and sex. These findings encourage the use of ActiNet for the extraction of activity intensity labels from wrist-accelerometer data in future epidemiological studies.
Authors: Lorenzo Nikiforos, Luciano Prono, Charalampos Antoniadis, Fabio Pareschi, Riccardo Rovatti, Gianluca Setti
Abstract: The increasing scale of Deep Neural Networks (DNNs) increases the need for compression techniques such as pruning, quantization, and low-rank decomposition. While these methods are very effective at reducing memory, computation, and energy consumption, they may introduce severe accuracy degradation, which is often mitigated by using iterative, gradual compression. However, different compression techniques require distinct iterative approaches, and some result in unstable, discontinuous model fine-tuning. We introduce Vanishing Contributions (VCON), a unified framework for the smooth, iterative transition of DNNs into a compressed form. Rather than replacing the original network directly with its compressed version, VCON executes both in parallel during fine-tuning. The contribution of the original (uncompressed) model is progressively reduced, while that of the compressed model is gradually increased. This affine combination allows the network to slowly adapt, improving stability and mitigating accuracy degradation. We evaluate VCON on computer vision and natural language processing benchmarks, using multiple compression strategies. In most settings, our framework improves accuracy over post-shot and iterative baselines. Typical gains exceed 1%, while some configuration exhibits improvements above 15%. VCON is thus compatible with existing compression techniques and consistently improves performance across diverse tasks.
Authors: Eason Yu, Tzu Hao Liu, Cl\'ement L. Canonne, Yunke Wang, Chang Xu, Nguyen H. Tran, Stefano V. Albrecht
Abstract: Finding Nash equilibria in two-player zero-sum imperfect-information games remains a central challenge in multi-agent reinforcement learning. Recent multi-round regularization methods offer a promising direction, yet existing approaches either require full enumeration of the game tree or rely on non-policy-gradient inner solvers that underperform in practice, leaving a scalable policy-gradient-based solution open. In this paper, we propose a novel multi-round regularization procedure and show that it guarantees strictly monotonic reduction in Bregman divergence to Nash equilibria and eventual convergence to one in two-player zero-sum extensive-form games. Guided by this framework, we develop a practical algorithm, Nash Policy Gradient (NashPG), which places the regularization directly in the policy optimization objective and is implemented using standard policy gradient methods. Empirically, NashPG achieves comparable or lower exploitability than prior model-free methods on classic benchmark games and scales to large domains such as Battleship and No-Limit Texas Hold'em, where it attains higher average payoff in head-to-head play.
Authors: Elena Celledoni, Brynjulf Owren, Lars Ruthotto, Tianjiao Nicole Yang
Abstract: Exploiting low-precision computations has become a standard strategy in deep learning to address the growing computational costs imposed by ever larger models and datasets. However, naively performing all computations in low precision can lead to roundoff errors and instabilities. Therefore, mixed precision training schemes usually store the weights in high precision and use low-precision computations only for whitelisted operations. Despite their success, these principles are currently not reliable for training continuous-time architectures such as neural ordinary differential equations (Neural ODEs). This paper presents a mixed precision training framework for neural ODEs consisting of explicit ODE solvers and a custom backpropagation scheme and shows their effectiveness in a range of learning tasks. Our scheme uses low-precision computations for evaluating the velocity, parameterized by the neural network, and for storing intermediate states, while numerical reliability is provided by custom dynamic adjoint scaling and by accumulating the solution and gradients in higher precision. These contributions address two key challenges in training neural ODEs: the computational cost of repeated network evaluations and the growth of memory requirements with the number of time steps or layers. Along with the paper we publish our extendable, open-source PyTorch package \texttt{rampde}, whose syntax resembles that of leading packages to provide a drop-in replacement in existing codes. We demonstrate the reliability and effectiveness of our scheme using challenging test cases and on neural ODE applications in image classification and generative models, achieving approximately 50\% memory reduction and up to 2x speedup while maintaining accuracy comparable to single-precision training.
Authors: Philipp Anthes, Dominik Sobania, Franz Rothlauf
Abstract: Transformer Semantic Genetic Programming (TSGP) is a semantic search approach that uses a pre-trained transformer model as a variation operator to generate offspring programs with high semantic similarity to a given parent. Unlike other semantic GP approaches that rely on fixed syntactic transformations, TSGP aims to learn diverse structural variations that lead to solutions with similar semantics. We find that a single transformer model trained on millions of programs is able to generalize across symbolic regression problems of varying dimension. Evaluated on 24 real-world and synthetic datasets, TSGP significantly outperforms standard GP, SLIM_GSGP, Deep Symbolic Regression, and Denoising Autoencoder GP, achieving an average rank of 1.58 across all benchmarks. Moreover, TSGP produces more compact solutions than SLIM_GSGP, despite its higher accuracy. In addition, the target semantic distance is able to effectively adjust the step size in the semantic space: small values enable consistent improvement in fitness but often lead to larger programs, while larger values promote faster convergence and compactness. Thus, the target semantic distance provides an effective mechanism for balancing exploration and exploitation.
Authors: Daniel Agyei Asante, Md Mokarram Chowdhury, Yang Li
Abstract: Large language models (LLMs) have driven major advances across domains, yet their massive size hinders deployment in resource-constrained settings. Low-rank factorization addresses this challenge by compressing models to effectively reduce their computation and memory consumption while maintaining accuracy. While these compressed models boast benign performance and system-level advantages, their trustworthiness implications remain poorly understood. In this paper, we present the first comprehensive study of how low-rank factorization affects LLM trustworthiness across privacy, adversarial robustness, ethics, and fairness, complemented by an explainability-driven analysis of the internal mechanisms behind these trust-related changes. We evaluate multiple LLMs of different sizes and architectures compressed with various low-rank factorization algorithms, revealing key insights: (1) low-rank factorization preserves training data privacy but weakens the protection of personally identifiable information during conversations; (2) adversarial robustness is generally enhanced under compression; (3) ethics degrades in zero-shot prompting but partially recovers in few-shot prompting; (4) fairness declines under compression. Beyond compression, we investigate how model scale and fine-tuning affect trustworthiness. Additionally, to move beyond black-box analysis, we employ a gradient-based attribution to identify which layers of LLMs contribute most to adversarial robustness.
Authors: Zhuo Zhang, Xi Yang, Ying Miao, Xiaobin Hu, Yifu Gao, Yuan Zhao, Yong Yang, Canqun Yang, Boocheong Khoo
Abstract: While Transformers have demonstrated remarkable potential in modeling Partial Differential Equations (PDEs), modeling large-scale unstructured meshes with complex geometries remains a significant challenge. Existing efficient architectures often employ feature dimensionality reduction strategies, which inadvertently induces Geometric Aliasing, resulting in the loss of critical physical boundary information. To address this, we propose the Physics-Geometry Operator Transformer (PGOT), designed to reconstruct physical feature learning through explicit geometry awareness. Specifically, we propose Spectrum-Preserving Geometric Attention (SpecGeo-Attention). Utilizing a ``physics slicing-geometry injection" mechanism, this module incorporates multi-scale geometric encodings to explicitly preserve multi-scale geometric features while maintaining linear computational complexity $O(N)$. Furthermore, PGOT dynamically routes computations to low-order linear paths for smooth regions and high-order non-linear paths for shock waves and discontinuities based on spatial coordinates, enabling spatially adaptive and high-precision physical field modeling. PGOT achieves consistent state-of-the-art performance across four standard benchmarks and excels in large-scale industrial tasks including airfoil and car designs.
Authors: Saumya Gupta, Scott Biggs, Moritz Laber, Zohair Shafi, Robin Walters, Ayan Paul
Abstract: Building efficient and effective generative models for neural network weights has been a research focus of significant interest that faces challenges posed by the high-dimensional weight spaces of modern neural networks and their symmetries. Several prior generative models are limited to generating partial neural network weights, particularly for larger models, such as ResNet and ViT. Those that do generate complete weights struggle with generation speed or require finetuning of the generated models. In this work, we present DeepWeightFlow, a Flow Matching model that operates directly in weight space to generate diverse and high-accuracy neural network weights for a variety of architectures, neural network sizes, and data modalities. The neural networks generated by DeepWeightFlow do not require fine-tuning to perform well and can scale to large networks. We apply Git Re-Basin and TransFusion for neural network canonicalization in the context of generative weight models to account for the impact of neural network permutation symmetries and to improve generation efficiency for larger model sizes. The generated networks excel at transfer learning, and ensembles of hundreds of neural networks can be generated in minutes, far exceeding the efficiency of diffusion-based methods. DeepWeightFlow models pave the way for more efficient and scalable generation of diverse sets of neural networks.
Authors: Jihang Li, Qing Liu, Zulong Chen, Jing Wang, Wei Wang, Chuanfei Xu, Zeyi Wen
Abstract: Tax code prediction is a crucial yet underexplored task in automating invoicing and compliance management for large-scale e-commerce platforms. Each product must be accurately mapped to a node within a multi-level taxonomic hierarchy defined by national standards, where errors lead to financial inconsistencies and regulatory risks. This paper presents Taxon, a semantically aligned and expert-guided framework for hierarchical tax code prediction. Taxon integrates (i) a feature-gating mixture-of-experts architecture that adaptively routes multi-modal features across taxonomy levels, and (ii) a semantic consistency model distilled from large language models acting as domain experts to verify alignment between product titles and official tax definitions. To address noisy supervision in real business records, we design a multi-source training pipeline that combines curated tax databases, invoice validation logs, and merchant registration data to provide both structural and semantic supervision. Extensive experiments on the proprietary TaxCode dataset and public benchmarks demonstrate that Taxon achieves state-of-the-art performance, outperforming strong baselines. Further, an additional full hierarchical paths reconstruction procedure significantly improves structural consistency, yielding the highest overall F1 scores. Taxon has been deployed in production within Alibaba's tax service system, handling an average of over 500,000 tax code queries per day and reaching peak volumes above five million requests during business event with improved accuracy, interpretability, and robustness.
Authors: Rohan Tangri, Jan-Peter Calliess
Abstract: We introduce the Value-at-Risk Constrained Policy Optimization algorithm (VaR-CPO), a sample efficient and conservative method designed to optimize Value-at-Risk (VaR) constrained reinforcement learning (RL) problems. Empirically, we demonstrate that VaR-CPO is capable of safe exploration, achieving zero constraint violations during training in feasible environments, a critical property that baseline methods fail to uphold. To overcome the inherent non-differentiability of the VaR constraint, we employ Cantelli's inequality to obtain a tractable approximation based on the first two moments of the cost return. Additionally, by extending the trust-region framework of the Constrained Policy Optimization (CPO) method, we provide worst-case bounds for both policy improvement and constraint violation during the training process.
Authors: Jiangnan Zhu, Yukai Xu, Li Xiong, Yixuan Liu, Junxu Liu, Hong kyu Lee, Yujie Gu
Abstract: Knowledge distillation (KD) is a machine learning framework that transfers knowledge from a teacher model to a student model. The vanilla KD proposed by Hinton et al. has been the dominant approach in logit-based distillation and demonstrates compelling performance. However, it only performs sample-wise probability alignment between teacher and student's predictions, lacking an mechanism for class-wise comparison. Besides, vanilla KD imposes no structural constraint on the probability space. In this work, we propose a simple yet effective methodology, bilateral contrastive knowledge distillation (BicKD). This approach introduces a novel bilateral contrastive loss, which intensifies the orthogonality among different class generalization spaces while preserving consistency within the same class. The bilateral formulation enables explicit comparison of both sample-wise and class-wise prediction patterns between teacher and student. By emphasizing probabilistic orthogonality, BicKD further regularizes the geometric structure of the predictive distribution. Extensive experiments show that our BicKD method enhances knowledge transfer, and consistently outperforms state-of-the-art knowledge distillation techniques across various model architectures and benchmarks.
Authors: Hongyi Li, Han Lin, Jun Xu
Abstract: Oblique decision trees combine the transparency of trees with the power of multivariate decision boundaries, but learning high-quality oblique splits is NP-hard, and practical methods still rely on slow search or theory-free heuristics. We present the Hinge Regression Tree (HRT), which reframes each split as a non-linear least-squares problem over two linear predictors whose max/min envelope induces ReLU-like expressive power. The resulting alternating fitting procedure is exactly equivalent to a damped Newton (Gauss-Newton) method within fixed partitions. We analyze this node-level optimization and, for a backtracking line-search variant, prove that the local objective decreases monotonically and converges; in practice, both fixed and adaptive damping yield fast, stable convergence and can be combined with optional ridge regularization. We further prove that HRT's model class is a universal approximator with an explicit $O(\delta^2)$ approximation rate, and show on synthetic and real-world benchmarks that it matches or outperforms single-tree baselines with more compact structures.
Authors: Huiyang Yi, Xiaojian Shen, Yonggang Wu, Duxin Chen, He Wang, Wenwu Yu
Abstract: Causal discovery from time series is a fundamental task in machine learning. However, its widespread adoption is hindered by a reliance on untestable causal assumptions and by the lack of robustness-oriented evaluation in existing benchmarks. To address these challenges, we propose CausalCompass, a flexible and extensible benchmark framework designed to assess the robustness of time-series causal discovery (TSCD) methods under violations of modeling assumptions. To demonstrate the practical utility of CausalCompass, we conduct extensive benchmarking of representative TSCD algorithms across eight assumption-violation scenarios. Our experimental results indicate that no single method consistently attains optimal performance across all settings. Nevertheless, the methods exhibiting superior overall performance across diverse scenarios are almost invariably deep learning-based approaches. We further provide hyperparameter sensitivity analyses to deepen the understanding of these findings. We additionally conduct ablation experiments to explain the strong performance of deep learning-based methods under assumption violations. We also find, somewhat surprisingly, that NTS-NOTEARS relies heavily on standardized preprocessing in practice, performing poorly in the vanilla setting but exhibiting strong performance after standardization. Finally, our work aims to provide a comprehensive and systematic evaluation of TSCD methods under assumption violations, thereby facilitating their broader adoption in real-world applications. The user-friendly implementation, documentation and datasets are available at https://anonymous.4open.science/r/CausalCompass-anonymous-5B4F/.
URLs: https://anonymous.4open.science/r/CausalCompass-anonymous-5B4F/.
Authors: Yuheng Luo, Shuyan Li, Zhong Cao
Abstract: Feature selection remains a major challenge in medical prediction, where existing approaches such as LASSO often lack robustness and interpretability. We introduce GRASP, a novel framework that couples Shapley value driven attribution with group $L_{21}$ regularization to extract compact and non-redundant feature sets. GRASP first distills group level importance scores from a pretrained tree model via SHAP, then enforces structured sparsity through group $L_{21}$ regularized logistic regression, yielding stable and interpretable selections. Extensive comparisons with LASSO, SHAP, and deep learning based methods show that GRASP consistently delivers comparable or superior predictive accuracy, while identifying fewer, less redundant, and more stable features.
Authors: Arjun Chatterjee, Sayeed Sajjad Razin, John Wu, Siddhartha Laghuvarapu, Jathurshan Pradeepkumar, Jimeng Sun
Abstract: Quantifying uncertainty in clinical predictions is critical for high-stakes diagnosis tasks. Conformal prediction offers a principled approach by providing prediction sets with theoretical coverage guarantees. However, in practice, patient distribution shifts violate the i.i.d. assumptions underlying standard conformal methods, leading to poor coverage in healthcare settings. In this work, we evaluate several conformal prediction approaches on EEG seizure classification, a task with known distribution shift challenges and label uncertainty. We demonstrate that personalized calibration strategies can improve coverage by over 20 percentage points while maintaining comparable prediction set sizes. Our implementation is available via PyHealth, an open-source healthcare AI framework: https://github.com/sunlabuiuc/PyHealth.
Authors: Frederic Wang, Katherine L. Bouman
Abstract: The choice of prior is central to solving ill-posed imaging inverse problems, making it essential to select one consistent with the measurements $y$ to avoid severe bias. In Bayesian inverse problems, this could be achieved by evaluating the model evidence $p(y \mid M)$ under different models $M$ that specify the prior and then selecting the one with the highest value. Diffusion models are the state-of-the-art approach to solving inverse problems with a data-driven prior; however, directly computing the model evidence with respect to a diffusion prior is intractable. Furthermore, most existing model evidence estimators require either many pointwise evaluations of the unnormalized prior density or an accurate clean prior score. We propose DiME, an estimator of the model evidence of a diffusion prior by integrating over the time-marginals of posterior sampling methods. Our method leverages the large amount of intermediate samples naturally obtained during the reverse diffusion sampling process to obtain an accurate estimation of the model evidence using only a handful of posterior samples (e.g., 20). We also demonstrate how to implement our estimator in tandem with recent diffusion posterior sampling methods. Empirically, our estimator matches the model evidence when it can be computed analytically, and it is able to both select the correct diffusion model prior and diagnose prior misfit under different highly ill-conditioned, non-linear inverse problems, including a real-world black hole imaging problem.
Authors: Yijiashun Qi, Yijiazhen Qi, Tanmay Wagh
Abstract: Identifying the full landscape of small and medium-sized enterprises (SMEs) in specialized industry sectors is critical for supply-chain resilience, yet existing business databases suffer from substantial coverage gaps -- particularly for sub-tier suppliers and firms in emerging niche markets. We propose a \textbf{Web--Knowledge--Web (W$\to$K$\to$W)} pipeline that iteratively (1)~crawls domain-specific web sources to discover candidate supplier entities, (2)~extracts and consolidates structured knowledge into a heterogeneous knowledge graph using domain-adapted few-shot LLM prompting, and (3)~uses the knowledge graph's topology and coverage signals to guide subsequent crawling toward under-represented regions of the supplier space. To quantify discovery completeness, we introduce a \textbf{coverage estimation framework} inspired by ecological species-richness estimators (Chao1, ACE) adapted for web-entity populations. Experiments on the semiconductor equipment manufacturing sector (NAICS 333242) demonstrate that the W$\to$K$\to$W pipeline achieves the highest precision (0.165) and F1 (0.123) among all methods while using only 144 pages -- 32\% fewer than the 213-page baseline budget -- building a knowledge graph of 664 entities and 542 relations with 100\% relation type-consistency.
Authors: Thomas R\"uckstie{\ss}, Robin Vujanic
Abstract: Synthetic data generation is an important capability for privacy-preserving data sharing, system benchmarking and test data provisioning. For mixed-type data, existing synthesizers largely target dense, fixed-schema tables, but many modern data systems store and exchange sparse, semi-structured JSON with nested objects, variable-length arrays and optional keys. Applying tabular synthesizers to such data requires flattening records into wide, sparse tables, turning nested structure and arrays into column-layout artifacts. We present ORiGAMi, an autoregressive transformer architecture for modeling and synthesizing semi-structured records without flattening. ORiGAMi serializes JSON records into key, value, and structural tokens, and encodes token positions by their path in the document tree. Grammar and schema constraints enforce syntactically valid JSON and dataset-consistent structure. We evaluate ORiGAMi against VAE, GAN, diffusion, and autoregressive baselines that operate on flattened representations across six datasets ranging from dense tabular benchmarks to large-scale semi-structured collections. Across fidelity, detection, and utility metrics, ORiGAMi achieves the best score in 17 of 18 benchmark comparisons, while maintaining high privacy scores above 96% across all settings. These results establish native record modeling as a strong alternative to tabular synthesis pipelines, preserving structure while achieving state-of-the-art benchmark performance.
Authors: Bojian Yin, Shurong Wang, Haoyu Tan, Sander Bohte, Federico Corradi, Guoqi Li
Abstract: Real-world sequential signals, such as audio or video, contain critical information that is often embedded within long periods of silence or noise. While recurrent neural networks (RNNs) are designed to process such data efficiently, they often suffer from ``memory decay'' due to a rigid update schedule: they typically update their internal state at every time step, even when the input is static. This constant activity forces the model to overwrite its own memory and makes it hard for the learning signal to reach back to distant past events. Here we show that we can overcome this limitation using Selective-Update RNNs (suRNNs), a non-linear architecture that learns to preserve its memory when the input is redundant. By using a neuron-level binary switch that only opens for informative events, suRNNs decouple the recurrent updates from the raw sequence length. This mechanism allows the model to maintain an exact, unchanged memory of the past during low-information intervals, creating a direct path for gradients to flow across time. Our experiments on the Long Range Arena, WikiText, and other synthetic benchmarks show that suRNNs match or exceed the accuracy of much more complex models such as Transformers, while remaining significantly more efficient for long-term storage. By allowing each neuron to learn its own update timescale, our approach resolves the mismatch between how long a sequence is and how much information it actually contains. By providing a principled approach to managing temporal information density, this work establishes a new direction for achieving Transformer-level performance within the highly efficient framework of recurrent modeling.
Authors: Zhengzhao Ma, Xueru Wen, Boxi Cao, Yaojie Lu, Hongyu Lin, Jinglin Yang, Min He, Xianpei Han, Le Sun
Abstract: Reinforcement Learning from Verifiable Rewards (RLVR) significantly enhances large language models (LLMs) reasoning but severely suffers from calibration degeneration, where models become excessively over-confident in incorrect answers. Previous studies devote to directly incorporating calibration objective into existing optimization target. However, our theoretical analysis demonstrates that there exists a fundamental gradient conflict between the optimization for maximizing policy accuracy and minimizing calibration error. Building on this insight, we propose DCPO, a simple yet effective framework that systematically decouples reasoning and calibration objectives. Extensive experiments demonstrate that our DCPO not only preserves accuracy on par with GRPO but also achieves the best calibration performance and substantially mitigates the over-confidence issue. Our study provides valuable insights and practical solution for more reliable LLM deployment.
Authors: Zicheng Lyu, Zengfeng Huang
Abstract: Nonasymptotic diffusion analyses often decompose sampling error into score estimation, continuous reverse-time propagation, discretization, and terminal conversion. We isolate a conditional propagation module on certified scalar-isotropic reverse-SDE windows, with terminal quadratic-Wasserstein reporting as the goal. The propagated object is not $W_2^2$, but an affine-tail transportation cost adapted to the learned drift. Reflection coupling exposes the learned reverse drift through a worst-case pairwise radial profile and reduces stability to a one-dimensional comparison. This reduction separates consistency from stability. Score-modeling and solver residuals quantify error injection and enter as additive forcing; radial load--reserve geometry quantifies error amplification and supplies the adapted-Wasserstein stability certificate. The obstruction is a barrier: an increasing concave cost must spend slope to cross adverse radial load before exploiting a contractive tail reserve. Hardy capacity measures this bottleneck, finite load before reserve yields an explicit affine-tail cost, and the main theorem propagates this adapted cost with separate score, solver, geometry, and terminal-reporting inputs. Terminal tails, moments, or bounded support are used only afterward to convert the affine-tail bound into $W_2^2$. The framework recovers uniformly dissipative propagation, transfers bounded-amplitude perturbations of certified reference drifts into finite inverse-radius load, and gives analytic certificates for common-covariance Gaussian-mixture smoothing windows. We also prove that one-sided adverse height, even with eventual reserve, does not determine the radial Hardy scale, and realize this separation by smooth exact-score drifts. For fixed learned drifts, we provide conservative deterministic and PAC compact post-hoc certification templates.
Authors: Tianxiang Xu, Xiaoyan Zhu, Xin Lai, Sizhe Dang, Xin Lian, Hangyu Cheng, Jiayin Wang
Abstract: Ensuring consistency between research papers and their corresponding software code implementations is a fundamental prerequisite for guaranteeing the reproducibility of scientific findings and the reliability of software systems. However, this issue has received limited attention to date, particularly in the field of bioinformatics, where inconsistencies between methodological descriptions in papers and their actual code implementations are prevalent. To address this gap, we introduce a novel research task, namely paper-code consistency detection, which aims to characterize the cross-modal semantic alignment between methodological descriptions in papers and their corresponding code implementations. At the data level, we construct the first benchmark dataset for this task in the bioinformatics domain, termed BioCon, comprising 48 bioinformatics software projects and their associated publications. BioCon is built by fine-grained alignment between sentence-level methodological descriptions in papers and function-level code snippets, combined with expert annotation and hard negative sampling strategies, resulting in a high-quality sentence-code paired dataset. At the methodological level, we propose a unified cross-modal consistency detection framework that leverages pre-trained models to jointly encode paper sentences and code functions. We conduct a systematic analysis from three perspectives: sentence-level classification, cross-modal retrieval, and project-level consistency assessment. Experimental results demonstrate that the proposed approach achieves strong performance in both consistency discrimination and semantic alignment. Overall, this work establishes the first systematic benchmark and framework for paper-code consistency analysis, opening a new research direction and providing a foundation for improving reproducibility and reliability in bioinformatics software.
Authors: Selim An, Il hong Suh, Yeseong Kim
Abstract: Quantization techniques such as BitsAndBytes, AWQ, and GPTQ are widely used as a standard method in deploying large language models but often degrades accuracy when using low-bit representations, e.g., 4 bits. Low-rank correction methods (e.g., LQER, QERA, ASER) has been proposed to mitigate this issue, however, they restore all layers and insert error-correction modules into every decoder block, which increases latency and memory overhead. To address this limitation, we propose GlowQ, a group-shared low-rank approximation for quantized LLMs that caches a single shared right factor per input-sharing group and restores only the groups or layers that yield the highest accuracy benefit. GlowQ computes the high-precision projection once per input-sharing group and reuses it across its modules, reducing parameter and memory overhead, and retaining the expressivity of layer-specific corrections. We also propose a selective variant, GlowQ-S, that applies the cached shared module only where it provides the largest benefit. Compared with strong baselines, our approach reduces TTFB by (5.6%) and increases throughput by (9.6%) on average, while reducing perplexity on WikiText-2 by (0.17%) and increasing downstream accuracy by 0.42 percentage points. The selective model GlowQ-S further reduces latency, cutting TTFB by (23.4%) and increasing throughput by (37.4%), while maintaining accuracy within 0.2 percentage points on average. Code is available at https://github.com/ahnselim/GlowQ.
Authors: Qingxiu Liu, Cyril Y. He, Hanser Jiang, Zion Wang, Alan Zhao, Patrick P. C. Lee
Abstract: Mixture-of-Experts (MoE) models have become a dominant paradigm for scaling large language models, but their rapidly growing parameter sizes introduce a fundamental inefficiency during inference: most expert weights remain idle in GPU memory while competing with performance-critical runtime state such as the key-value (KV) cache. Since KV cache capacity directly determines serving throughput, this mismatch leads to underutilized memory and degraded performance. In this paper, we present FluxMoE, a new MoE inference system that decouples expert parameters from persistent GPU residency. FluxMoE introduces an expert paging abstraction that treats expert weights as streamed, transient resources, materializing them on demand and evicting them immediately after use, allowing GPU memory to be preferentially allocated to throughput-critical runtime state. We implement FluxMoE atop vLLM to enable efficient MoE inference under severe memory constraints. Experimental results demonstrate that FluxMoE achieves up to 3.0$\times$ throughput gains over vLLM in memory-intensive regimes, without compromising model fidelity.
Authors: Zhaowen Fan, Rongchao Zhang
Abstract: Autonomous agents operating in dynamic and safety-critical environments require decision-making frameworks that are both computationally efficient and physically grounded. However, many existing approaches rely on end-to-end learning, which often lacks interpretability and explicit mechanisms for ensuring consistency with physical constraints. In this work, we propose an event-centric world modeling framework with memory-augmented retrieval for embodied decision-making. The framework represents the environment as a structured set of semantic events, which are encoded into a permutation-invariant latent representation. Decision-making is performed via retrieval over a knowledge bank of prior experiences, where each entry associates an event representation with a corresponding maneuver. The final action is computed as a weighted combination of retrieved solutions, providing a transparent link between decision and stored experiences. The proposed design enables structured abstraction of dynamic environments and supports interpretable decision-making through case-based reasoning. In addition, incorporating physics-informed knowledge into the retrieval process encourages the selection of maneuvers that are consistent with observed system dynamics. Experimental evaluation in UAV flight scenarios demonstrates that the framework operates within real-time control constraints while maintaining interpretable and consistent behavior.
Authors: Meghana Kshirsagar, Allen Nie, Ching-An Cheng, Fanglei Xue, Rahul Dodhia, Juan Lavista Ferres, Kevin K. Yang, Frank DiMaio
Abstract: We introduce RosettaSearch, an inference-time multi-objective optimization approach for backbone conditioned protein sequence design. We use large language models (LLMs) as a generative optimizer within a search algorithm capable of controlled exploration and exploitation, using rewards computed from RosettaFold3, a structure prediction model, under a strict computational budget. In a large-scale evaluation, we apply RosettaSearch to 400 suboptimal sequences generated by LigandMPNN (a state-of-the-art model trained for protein sequence design), recovering high-fidelity designs that LigandMPNN's single-pass decoding fails to produce. RosettaSearch's designs show improvements in structural fidelity metrics ranging between 18% to 68%, translating to a 2.5x improvement in design success rate. We observe that these gains in success rate are robust when RosettaSearch-designed sequences are evaluated with an independent structure prediction oracle (Chai-1) and generalize across two distinct LLM families (o4-mini and Gemini-3), with performance scaling consistently with reasoning capability. We further demonstrate that RosettaSearch improves the sequence fidelity of ProteinMPNN designs for de novo backbones from the Dayhoff atlas, showing that the approach generalizes beyond native protein structures to computationally generated backbones. We also demonstrate a multi-modal extension of RosettaSearch with vision-language models, where images of predicted protein structures are used as feedback to incorporate structural context to guide protein sequence generation. To our knowledge, this is the first large-scale demonstration that LLMs can serve as effective generative optimizers for backbone-conditioned protein sequence design, yielding systematic gains without any model retraining.
Authors: Yunke Ao, Le Chen, Bruce D. Lee, Assefa S. Wahd, Aline Czarnobai, Philipp F\"urnstahl, Bernhard Sch\"olkopf, Andreas Krause
Abstract: Proximal Policy Optimization (PPO) has become the predominant algorithm for on-policy reinforcement learning due to its scalability and empirical robustness across domains. However, there is a significant disconnect between the underlying foundations of trust region methods and the heuristic clipped objective used in PPO. In this paper, we bridge this gap by introducing the Bounded Ratio Reinforcement Learning (BRRL) framework. We formulate a novel regularized and constrained policy optimization problem and derive its analytical optimal solution. We prove that this solution ensures monotonic performance improvement. To handle parameterized policy classes, we develop a policy optimization algorithm called Bounded Policy Optimization (BPO) that minimizes an advantage-weighted divergence between the policy and the analytic optimal solution from BRRL. We further establish a lower bound on the expected performance of the resulting policy in terms of the BPO loss function. Notably, our framework also provides a new theoretical lens to interpret the success of the PPO loss, and connects trust region policy optimization and the Cross-Entropy Method (CEM). We additionally extend BPO to Group-relative BPO (GBPO) for LLM fine-tuning. Empirical evaluations of BPO across MuJoCo, Atari, and complex IsaacLab environments (e.g., Humanoid locomotion), and of GBPO for LLM fine-tuning tasks, demonstrate that BPO and GBPO generally match or outperform PPO and GRPO in stability and final performance.
Authors: Jianyang Gao, Yutong Gou, Yuexuan Xu, Jifan Shi, Yongyi Yang, Shuolin Li, Raymond Chi-Wing Wong, Cheng Long
Abstract: This technical note revisits the relationship between RaBitQ and TurboQuant under a unified comparison framework. We compare the two methods in terms of methodology, theoretical guarantees, and empirical performance, using a reproducible, transparent, and symmetric setup. Our results show that, despite the claimed advantage of TurboQuant, TurboQuant performs worse than RaBitQ in most tested settings of inner-product estimation, nearest-neighbor search and KV cache quantization. We further find that several reported runtime and recall results in the TurboQuant paper could not be reproduced from the released implementation under the stated configuration. Overall, this note clarifies the shared structure and genuine differences between the two lines of work, while documenting reproducibility issues in the experimental results reported by the TurboQuant paper.
Authors: Seoungbin Bae, Dabeen Lee
Abstract: We study the $K$-armed logistic bandit problem, where at each round, the agent observes $K$ feature vectors associated with $K$ actions. Existing approaches that achieve a rate-optimal $\tilde{\mathcal{O}}(\sqrt{dT})$ regret bound rely heavily on context diversity assumptions, such as strict positivity of the minimum eigenvalue of a context covariance matrix. These assumptions, however, impose strong restrictions on the context process, as they rule out the situation where the context vectors are concentrated in a low-dimensional subspace. In this paper, we propose SupSplitLog, which, to the best of our knowledge, is the first algorithm for logistic bandits that achieves $\tilde{\mathcal{O}}(\sqrt{dT})$ regret without any context diversity assumption. The key idea is to split the collected samples into two disjoint subsets when constructing estimators; one is used to compute an initial-point estimator, while the other is used to apply a Newton-type one-step correction procedure. The splitting rule is carefully designed to balance the accuracy requirements of the initial-point estimator and the one-step correction procedure. Moreover, SupSplitLog strictly improves on the existing algorithms in terms of the dependence on dimension $d$ in the regret upper bound. Furthermore, SupSplitLog can be adapted simply to deduce a regret bound that grows with a data-dependent complexity measure, avoiding a direct dependence on $d$, which is favorable when the context vectors are concentrated in a low-dimensional subspace. We also provide experimental results that demonstrate numerically the superiority of our algorithm, validating the theoretical results.
Authors: Naomi E. Zirkind, William J. Diehl
Abstract: For the use case of comparing the performance of clustering algorithms whose output is a contingency table, a single performance metric for contingency tables is needed. Such a metric is vital for comparative performance analysis of clustering algorithms. A survey of publicly available literature did not show the presence of such a metric. Metrics do exist for vector pairs of truth values and predicted values, which are an alternative form of output of clustering algorithms. However, the metrics for vector pairs do not reveal the presence of detailed features that are apparent in contingency tables. This paper presents the Associativity Peakiness (AP) metric, which characterizes aspects of clustering algorithm performance that are critical for predicting a clustering algorithm's performance when deployed. The AP metric is analogous to measures of quality for confusion matrices that are outputs of supervised learning algorithms. This paper presents results from simulations in which 500 contingency tables were generated for multiple test scenarios. The results show that for the use case of evaluating clustering algorithms, the AP metric characterizes performance of contingency tables with higher dynamic range than publicly available metrics, and that it is computationally more efficient than comparable publicly available metrics.
Authors: Kevin McKee, Thomas Hazy, Yicong Zheng, Zacharie Bugaud, Thomas Miconi
Abstract: Block-sequential continual learning demands that a single model both protect prior solutions from catastrophic forgetting and efficiently infer at inference time which prior solution matches the current input without task labels. We present Functional Task Networks (FTN), a parameter-isolation method inspired by structural and dynamical motifs found in the mammalian neocortex. Similar to mixture-of-experts, this method uses a high dimensional, self-organizing binary mask over a large population of small but deep networks, inspired by dendritic models of pyramidal neurons. The mask is produced by a three-stage procedure: (1) gradient descent on a continuous mask identifies task-relevant neurons, (2) a smoothing kernel biases the result toward spatial contiguity, (3) and k-winner-take-all binarizes the resulting group at a fixed capacity budget. Like mixture-of-experts, each neuron is an independent deep network, so disjoint masks give exactly disjoint gradient updates, providing structural guarantees against catastrophic forgetting. This three-stage procedure recovers the sub-network of a previously-trained task in a single gradient step, providing unsupervised task segmentation at inference time. We test it on three continual-learning benchmarks: (1) a synthetic multi-task classification/regression generator, (2) MNIST with shuffled class labels (pure concept shift), and (3) Permuted MNIST (domain shift). On all three, FTN with fine grained smoothing (FTN-Slow) results in nearly zero forgetting. FTN with a large kernel and only 2 iterations of smoothing (FTN-Fast) trades off some retention for increased speed. We show that the spatial organization mechanism reduces the effective mask search from the combinatorial top-k subset problem in O(C(H,K)) to the complexity of a near-linear scan in O(H) over compact cortical neighborhoods, which is parallelized by the gradient-based update.
Authors: Jiachen Liu, Jiaxin Pei, Jintao Huang, Chenglei Si, Ao Qu, Xiangru Tang, Runyu Lu, Lichang Chen, Xiaoyan Bai, Haizhong Zheng, Carl Chen, Zhiyang Chen, Haojie Ye, Yujuan Fu, Zexue He, Zijian Jin, Zhenyu Zhang, Shangquan Sun, Maestro Harmon, John Dianzhuo Wang, Jianqiao Zeng, Jiachen Sun, Mingyuan Wu, Baoyu Zhou, Chenyu You, Shijian Lu, Yiming Qiu, Fan Lai, Yuan Yuan, Yao Li, Junyuan Hong, Ruihao Zhu, Beidi Chen, Alex Pentland, Ang Chen, Mosharaf Chowdhury, Zechen Zhang
Abstract: Scientific publication compresses a branching, iterative research process into a linear narrative, discarding the majority of what was discovered along the way. This compilation imposes two structural costs: a Storytelling Tax, where failed experiments, rejected hypotheses, and the branching exploration process are discarded to fit a linear narrative; and an Engineering Tax, where the gap between reviewer-sufficient prose and agent-sufficient specification leaves critical implementation details unwritten. Tolerable for human readers, these costs become critical when AI agents must understand, reproduce, and extend published work. We introduce the Agent-Native Research Artifact (ARA), a protocol that replaces the narrative paper with a machine-executable research package structured around four layers: scientific logic, executable code with full specifications, an exploration graph that preserves the failures compilation discards, and evidence grounding every claim in raw outputs. Three mechanisms support the ecosystem: a Live Research Manager that captures decisions and dead ends during ordinary development; an ARA Compiler that translates legacy PDFs and repos into ARAs; and an ARA-native review system that automates objective checks so human reviewers can focus on significance, novelty, and taste. On PaperBench and RE-Bench, ARA raises question-answering accuracy from 72.4% to 93.7% and reproduction success from 57.4% to 64.4%. On RE-Bench's five open-ended extension tasks, preserved failure traces in ARA accelerate progress, but can also constrain a capable agent from stepping outside the prior-run box depending on the agent's capabilities.
Authors: Martin G. Frasch
Abstract: Modern machine learning optimizes for accuracy without explicit treatment of internal computational cost, even though physical and biological systems operate under intrinsic energy constraints. We evaluate energy-aware learning across 2,203 experiments spanning vision, text, neuromorphic, and physiological datasets with 10 seeds per configuration and factorial statistical analysis. Three findings emerge. First, architecture alone explains negligible variance in accuracy (partial eta^2 = 0.001), while the architecture x dataset interaction is large (partial eta^2 = 0.44, p < 0.001), demonstrating that optimal architecture depends critically on task modality and rejecting the assumption of a universal best architecture. Second, a controlled lambda-sweep across lambda in {0, 1e-5, 1e-4, 1e-3, 1e-2} validates a single-parameter energy-regularized objective L = L_CE + lambda * E(theta, x): across this range, internal activation energy decreases by approximately three orders of magnitude relative to the unregularized lambda=0 baseline, with negligible accuracy change (<0.5 percentage points) on both MNIST and Fashion-MNIST. Third, energy-first architectures inspired by an action-principle framework yield 5-33% within-modality training-efficiency gains over conventional baselines. These results emerge from a research program that interprets learning through a structural correspondence between the action functional in classical mechanics, free energy in statistical physics, and KL-regularized objectives in variational inference. We frame this correspondence as a design hypothesis, not a derivation.
Authors: Christopher B\"ulte, Lisa Leimenstoll, Melanie Schienle
Abstract: In this work, we propose a simulation-based estimation approach using generative neural networks to determine dependencies of precipitation maxima and their underlying uncertainty in time and space. Within the common framework of max-stable processes for extremes under temporal and spatial dependence, our methodology allows estimating the process parameters and their respective uncertainty, but also delivers an explicit nonparametric estimate of the spatial dependence through the pairwise extremal coefficient function. We illustrate the effectiveness and robustness of our approach in a thorough finite sample study where we obtain good performance in complex settings for which closed-form likelihood estimation becomes intractable. We use the technique for studying monthly rainfall maxima in Western Germany for the period 2021-2023, which is of particular interest since it contains an extreme precipitation and consecutive flooding event in July 2021 that had a massive deadly impact. Beyond the considered setting, the presented methodology and its main generative ideas also have great potential for other applications.
Authors: Ching-Chun Chang, Kai Gao, Shuying Xu, Anastasia Kordoni, Christopher Leckie, Isao Echizen
Abstract: Neural backdoors represent insidious cybersecurity loopholes that render learning machinery vulnerable to unauthorised manipulations, potentially enabling the weaponisation of artificial intelligence with catastrophic consequences. A backdoor attack involves the clandestine infiltration of a trigger during the learning process, metaphorically analogous to hypnopaedia, where ideas are implanted into a subject's subconscious mind under the state of hypnosis or unconsciousness. When activated by a sensory stimulus, the trigger evokes a conditioned reflex that directs a machine to mount a predetermined response. In this study, we propose a cybernetic framework for constant surveillance of backdoor threats, driven by the dynamic nature of untrustworthy data sources. We develop a self-aware unlearning mechanism to autonomously detach a machine's behaviour from the backdoor trigger. Through reverse engineering and statistical inference, we detect deceptive patterns and estimate the likelihood of backdoor infection. We employ model inversion to elicit artificial mental imagery, using stochastic processes to disrupt optimisation pathways and avoid convergent but potentially flawed patterns. This is followed by hypothesis analysis, which estimates the likelihood of each potentially malicious pattern as the true trigger and infers the probability of infection. The primary objective of this study is to maintain a stable state of equilibrium between knowledge fidelity and backdoor vulnerability.
Authors: Vijaya Kalavakonda, Vimaladevi Madhivanan, Abhay Lal, Senthil Rithika, Shamala Karupusamy Subramaniam, Mohamed Sameer
Abstract: Osteoporosis, a prevalent condition among the aging population worldwide, is characterized by diminished bone mass and altered bone structure, increasing susceptibility to fractures. It poses a significant and growing global public health challenge over the next decade. Diagnosis typically involves Dual-energy X-ray absorptiometry to measure bone mineral density, yet its mass screening utility is limited. The Singh Index (SI) provides a straightforward, semi-quantitative means of osteoporosis diagnosis through plain hip radiographs, assessing trabecular patterns in the proximal femur. Although cost-effective and accessible, manual SI calculation is time-intensive and requires expertise. This study aims to automate SI identification from radiographs using machine learning algorithms. An unlabelled dataset of 838 hip X-ray images from Indian adults aged 20-70 was utilized. A custom convolutional neural network architecture was developed for feature extraction, demonstrating superior performance in cluster homogeneity and heterogeneity compared to established models. Various clustering algorithms categorized images into six SI grade clusters, with comparative analysis revealing only two clusters with high Silhouette Scores for promising classification. Further scrutiny highlighted dataset imbalance and emphasized the importance of image quality and additional clinical data availability. The study suggests augmenting X-ray images with patient clinical data and reference images, alongside image pre-processing techniques, to enhance diagnostic accuracy. Additionally, exploring semi-supervised and self-supervised learning methods may mitigate labelling challenges associated with large datasets.
Authors: Sakshi Agarwal, Gabriel Hope, Jimin Heo, Erik B. Sudderth
Abstract: Diffusion probabilistic models learn to remove noise added during training, generating novel data (e.g., images) from Gaussian noise through sequential denoising. However, conditioning the generative process on corrupted or masked images is challenging. While various methods have been proposed for inpainting masked images with diffusion priors, they often fail to produce samples from the true conditional distribution, especially for large masked regions. Many baselines also cannot be applied to latent diffusion models which generate high-quality images with much lower computational cost. We propose a hierarchical variational inference algorithm that optimizes a non-Gaussian Markov approximation of the true diffusion posterior. Our VIPaint method outperforms existing approaches to inpainting, producing diverse high-quality imputations even for state-of-the-art text-conditioned latent diffusion models, and is also effective for other inverse problems like deblurring and superresolution.
Authors: Narayan Srinivasan, Matthew Sutton, Christopher Drovandi, Leah F South
Abstract: We propose a novel method for measuring the discrepancy between a set of samples and a desired posterior distribution for Bayesian inference. Classical methods for assessing sample quality like the effective sample size are not appropriate for scalable Bayesian sampling algorithms, such as stochastic gradient Langevin dynamics, that are asymptotically biased. Instead, the gold standard is to use the kernel Stein Discrepancy (KSD), which is itself not scalable given its quadratic cost in the number of samples. The KSD and its faster extensions also typically suffer from the curse of dimensionality and can require extensive tuning. To address these limitations, we develop the polynomial Stein discrepancy (PSD) and an associated goodness-of-fit test. While the new test is not fully convergence-determining, we prove that it detects differences in the first r moments for Gaussian targets. We empirically show that the test has higher power than its competitors in several examples, and at a lower computational cost. Finally, we demonstrate that the PSD can assist practitioners to select hyper-parameters of Bayesian sampling algorithms more efficiently than competitors.
Authors: Shakeeb Murtaza, Soufiane Belharbi, Alexis Guichemerre, Marco Pedersoli, Eric Granger
Abstract: Weakly supervised object localization (WSOL) models are trained using only image-level class labels. They can predict both the object class and spatial regions corresponding to the object, without requiring explicit bounding box annotations. Given their reliance on classification objectives, traditional WSOL methods, like class activation mapping, tend to focus on the most discriminative object regions, often missing the full spatial extent. Although vision-language models such as CLIP encode rich semantic priors, they are not directly suited for WSOL because global text and class-token embeddings are not explicitly aligned with local patch embeddings, making patch-level localization difficult without additional mechanisms. Recent methods such as GenPrompt address this limitation, but at the cost of increased complexity, as they rely on conditional denoising and elaborate prompt-learning strategies. We propose Text Distillation for Localization (TeD-Loc), which transfers knowledge from CLIP text embeddings to patch embeddings through contrastive alignment, thereby enabling patch-level foreground/background localization. A localization-guided classification module is also introduced that uses localization scores to aggregate foreground patch embeddings for joint classification and localization in a single model. In addition, a QR-based orthogonalization of class text embeddings is applied before distillation to improve discrimination for semantically similar classes. Extensive experiments show that TeD-Loc improves Top-1 Loc by ~5% on CUB and ILSVRC, and PxAP by ~31% on histopathology benchmarks, while achieving more efficient inference than GenPrompt.
Authors: Daniel Andrew Coulson, Martin T. Wells
Abstract: Time series forecasts are widely used to inform decisions. Human decision-makers interpret these forecasts, incorporate prior experience and uncertainty about future outcomes, and then make a decision. In this paper, we propose a new machine learning problem, which we call Foreclassing, which addresses settings in which the aim is to automate human involvement in such decision-making processes. Our aim is to develop a unified end-to-end model that takes a time series as input, produces a forecast, accounts for its predictive uncertainty, and makes a downstream classification decision, enabling models to support or automate such temporal decision-making tasks. Related problems arise across a range of applications, yet the literature lacks both a unified methodology and a formal problem statement. By formalizing the task, we aim to stimulate research on such models and encourage cross-domain collaboration. To solve the Foreclassing problem, we propose a deep Bayesian neural network, ForeClassNet. As part of this framework, we introduce a new type of neural network layer, Boltzmann convolutions, which enable probabilistic learning of kernel sizes in convolutional layers. We evaluate the Foreclassing framework against standard time series classification methods and demonstrate the efficacy of ForeClassNet on real-world Foreclassing datasets from the weather, energy, and finance domains, achieving superior performance relative to state-of-the-art time series classifiers.
Authors: Musfiqur Rahman, SayedHassan Khatoonabadi, Emad Shihab
Abstract: Existing class-level code generation datasets are either synthetic (ClassEval: 100 classes) or insufficient in scale for modern training needs (RealClassEval: 400 classes), hindering robust evaluation and empirical analysis. We present OpenClassGen, a large-scale corpus of 324,843 Python classes extracted from 2,970 engineered open-source projects. Each entry pairs a human-written class with its corresponding skeleton, which comprises class and method signatures with associated docstrings, and is enriched with 27 static code metrics covering complexity, coupling, cohesion, and inheritance properties. Unlike prior benchmarks that require repository-level context resolution, OpenClassGen provides self-contained class skeletons that serve as complete generation specifications. We demonstrate the corpus's utility by evaluating three LLMs (GPT-o4-mini, Claude-4-Sonnet, Qwen-3-Coder) on a curated, executable subset of 300 classes, enriched with test suites achieving 58% branch coverage. Results show strong semantic similarity (CodeBERTScore-F3: 0.89) but moderate functional correctness (pass rate: 0.33), with substantial variance across models. This variance, along with diverse class characteristics, confirms that OpenClassGen enables meaningful differentiation of LLM capabilities. The dataset supports diverse use cases, including fine-tuning, retrieval-augmented generation, difficulty modelling, and failure mode analysis. The complete dataset and curation scripts are publicly available at https://zenodo.org/records/18409150.
Authors: Cyril Shih-Huan Hsu, Anestis Dalgkitsis, Chrysa Papagianni, Paola Grosso
Abstract: In the forthcoming era of 6G networks, characterized by unprecedented data rates, ultra-low latency, and ubiquitous connectivity, effective management of Virtualized Network Functions (VNFs) is essential. VNFs are software-based counterparts of traditional hardware devices that facilitate flexible and scalable service provisioning. Service Function Chains (SFCs), structured as ordered sequences of VNFs, are pivotal in delivering complex network services. Nevertheless, splitting an SFC into multiple segments that are deployed across different network domains or infrastructure locations presents substantial challenges due to the potential heterogeneity of domain characteristic along with quality of service (QoS) constraints and limited visibility of network state. Conventional optimization methods have limited scalability, while existing data-driven approaches struggle to balance efficiency with capturing VNF inter-dependencies in SFCs. To overcome these limitations, we introduce a Transformer-empowered actor-critic framework specifically designed for sequence-aware SFC partitioning. By utilizing the self-attention mechanism, our approach effectively models complex inter-dependencies between VNFs, facilitating coordinated and parallel decision-making processes. Furthermore, to improve training stability and convergence we introduce an $\epsilon$-LoPe exploration strategy as well as Asymptotic Return Normalization. Comprehensive simulation results demonstrate that the proposed methodology outperforms existing state-of-the-art solutions in terms of long-term service acceptance rates, resource utilization, and scalability while achieving fast inference.
Authors: Nan Lu, Ethan Lee, Ethan X. Fang, Junwei Lu
Abstract: Reinforcement Learning from Human Feedback (RLHF) has become a pivotal paradigm in artificial intelligence to align large models with human preferences. In this paper, we propose a novel statistical framework to simultaneously conduct the online decision-making and statistical inference on the optimal model using human preference data based on dynamic contextual information. Our approach introduces an efficient decision strategy that achieves both the optimal regret bound and the asymptotic distribution of the estimators. A key challenge in RLHF is handling the dependent online human preference outcomes with dynamic contexts. To address this, in the methodological aspect, we propose a two-stage algorithm starting with $\epsilon$-greedy followed by exploitations; in the theoretical aspect, we tailor anti-concentration inequalities and matrix martingale concentration techniques to derive the uniform estimation rate and asymptotic normality of the estimators using dependent samples from both stages. Extensive simulation results demonstrate that our method outperforms state-of-the-art strategies. We apply the proposed framework to analyze the human preference data for ranking large language models on the Massive Multitask Language Understanding dataset, yielding insightful results on the performance of different large language models for medical anatomy knowledge.
Authors: Zhuohan Xie, Daniil Orel, Rushil Thareja, Dhruv Sahnan, Hachem Madmoun, Fan Zhang, Debopriyo Banerjee, Georgi Georgiev, Xueqing Peng, Lingfei Qian, Jimin Huang, Jinyan Su, Aaryamonvikram Singh, Rui Xing, Rania Elbadry, Chen Xu, Haonan Li, Fajri Koto, Ivan Koychev, Tanmoy Chakraborty, Yuxia Wang, Salem Lahlou, Veselin Stoyanov, Sophia Ananiadou, Preslav Nakov
Abstract: Multi-step symbolic reasoning is essential for robust financial analysis; yet, current benchmarks largely overlook this capability. Existing datasets such as FinQA and ConvFinQA emphasize final numerical answers while neglecting the intermediate reasoning steps required for transparency and verification. To address this gap, we introduce FinChain, the first benchmark specifically designed for verifiable Chain-of-Thought evaluation in finance. FinChain spans 58 topics across 12 financial domains, each represented by parameterized symbolic templates with executable Python code that enable fully machine-verifiable reasoning and scalable, contamination-free data generation. To assess reasoning capacity, we propose CHAINEVAL, a dynamic alignment measure that jointly evaluates both the final-answer correctness and the step-level reasoning consistency. Our evaluation of 26 leading LLMs reveals that even frontier LLMs exhibit clear limitations in symbolic financial reasoning, while domain-adapted and math-enhanced fine-tuned models can substantially narrow this gap. Overall, FinChain exposes persistent weaknesses in multi-step financial reasoning and provides a foundation for developing trustworthy, interpretable, and verifiable financial AI. This project is available at https://github.com/mbzuai-nlp/finchain.git.
Authors: Hongyu H\`e, Minhao Jin, Maria Apostolaki
Abstract: Generative ML models are increasingly popular in networking for tasks such as telemetry imputation, prediction, and synthetic trace generation. Despite their capabilities, they suffer from two shortcomings: \emph{(i)} their output is often visibly violating well-known networking rules, which undermines their trustworthiness; and \emph{(ii)} they are difficult to control, frequently requiring retraining even for minor changes. To address these limitations and unlock the benefits of generative models for networking, we propose a new paradigm for integrating explicit network knowledge, in the form of first-order logic rules, into ML models used for networking tasks. Rules capture well-known relationships among observed signals, e.g., that increased latency precedes packet loss. While the idea is conceptually straightforward, its realization is challenging: networking knowledge is rarely formalized into rules, and naively injecting rules into ML models often hampers their effectiveness. This paper introduces NetNomos, a multi-stage framework that \emph{(i)} learns rules directly from data (e.g., measurements); \emph{(ii)} filters them to select semantically meaningful ones; and \emph{(iii)} enforces them through collaborative generation between an ML model and a Satisfiability Modulo Theories (SMT) solver. %We evaluate NetNomos both component-wise and end-to-end across four diverse network datasets. We show that NetNomos learns diverse, meaningful rules from four real-world datasets and is 1.6--6.5$\times$ more scalable than DuoAI, a state-of-the-art (SOTA) rule-learning method. By enforcing these rules on a generic GPT-2 model, NetNomos achieves performance on par with or even surpassing specialized SOTA systems such as Zoom2Net and NetShare across three networking tasks: telemetry imputation, traffic forecasting, and synthetic data generation.
Authors: Santosh Vasa, Aditi Ramadwar, Jnana Rama Krishna Darabattula, Md Zafar Anwar, Stanislaw Antol, Andrei Vatavu, Thomas Monninger, Sihao Ding
Abstract: Training of autonomous driving systems requires extensive datasets with precise annotations to attain robust performance. Human annotations suffer from imperfections, and multiple iterations are often needed to produce high-quality datasets. However, manually reviewing large datasets is laborious and expensive. In this paper, we introduce AutoVDC (Automated Vision Data Cleaning) framework and investigate the utilization of Vision-Language Models (VLMs) to automatically identify erroneous annotations in vision datasets, thereby enabling users to eliminate these errors and enhance data quality. We validate our approach using the KITTI and nuImages datasets, which contain object detection benchmarks for autonomous driving. To test the effectiveness of AutoVDC, we create dataset variants with intentionally injected erroneous annotations and observe the error detection rate of our approach. Additionally, we compare the detection rates using different VLMs and explore the impact of VLM fine-tuning on our pipeline. The results demonstrate our method's high performance in error detection and data cleaning experiments, indicating its potential to significantly improve the reliability and accuracy of large-scale production datasets in autonomous driving.
Authors: Deniz Bayazit, Aaron Mueller, Antoine Bosselut
Abstract: Large language models (LLMs) learn non-trivial abstractions during pretraining, such as detecting irregular plural noun subjects. However, because traditional evaluation methods (e.g., benchmarking) fail to reveal how models acquire these concepts and capabilities, it is not well understood when and how these specific linguistic abilities emerge. To bridge this gap and better understand model training at the concept level, we use sparse crosscoders to discover and align features across model checkpoints. Using this approach, we track the evolution of linguistic features during pretraining. We train crosscoders between open-sourced checkpoint triplets with significant performance and representation shifts, and introduce a novel metric, Relative Indirect Effects (RelIE), to trace training stages at which individual features become causally important for task performance. We show that crosscoders can detect feature emergence, maintenance, and discontinuation during pretraining. Our approach is architecture-agnostic and scalable, offering a promising path toward more interpretable and fine-grained analysis of representation learning throughout pretraining.
Authors: Quentin Uhl, Tommaso Pavan, Julianna Gerold, Kwok-Shing Chan, Yohan Jun, Shohei Fujita, Aneri Bhatt, Yixin Ma, Qiaochu Wang, Hong-Hsi Lee, Susie Y. Huang, Berkin Bilgic, Ileana Jelescu
Abstract: Biophysical diffusion MRI models like Neurite Exchange Imaging (NEXI) are essential for probing gray matter microstructure, estimating compartment diffusivities, neurite fraction, and exchange time. However, NEXI's multi-shell, multi-diffusion-time requirements cause prohibitively long acquisitions. Leveraging the Connectome 2.0 ultra-high gradient scanner, we developed a time-efficient protocol using an Explainable AI (XAI) framework. Combining XGBoost, SHAP, and Recursive Feature Elimination trained on synthetic signals, XAI identified an optimal 8-feature subset, cutting scan time from 27 to 14 minutes. Validated in vivo in seven healthy participants, the XAI protocol was benchmarked against the full 15-feature acquisition, a Cram'er-Rao Lower Bound (CRLB) theoretical optimum, and two heuristics ("Mid-Range" and "Corner"). It robustly reproduced parameter estimates and maintained test-retest reproducibility. Remarkably, the XAI selection converged to the CRLB optimum. This validates XAI's optimality while highlighting its main advantage: achieving gold-standard optimization without complex analytical Jacobians, making it easily adaptable to numerical models or complex noise where CRLB is intractable. Furthermore, XAI showed superior in vivo robustness over heuristics: "Mid-Range" sampling yielded biased exchange time estimates from insufficient temporal diversity, while "Corner" sampling gave unstable intra-neurite diffusivity estimates (5-fold higher CV) due to noise sensitivity. Ultimately, this robust 14-minute protocol accelerates exchange-sensitive microstructural mapping, establishing a model-agnostic optimization framework adaptable to future ultra-high gradient systems and existing clinical scanners.
Authors: Savini Kashmira, Jayanaka Dantanarayana, Thamirawaran Sathiyalogeswaran, Krisztian Flautner, Lingjia Tang, Jason Mars
Abstract: This paper presents GRAPHMEND, a high-level compiler technique that eliminates FX graph breaks in PyTorch 2 programs. Although PyTorch 2 introduced TorchDynamo and TorchInductor to enable just-in-time graph compilation, unresolved dynamic control flow and unsupported Python constructs often fragment models into multiple FX graphs. These fragments force frequent fallbacks to eager mode, introduce costly CPU-to-GPU synchronizations, and reduce optimization opportunities. GRAPHMEND addresses this limitation by analyzing and transforming source code before execution. Built on the Jaseci compilation framework, GRAPHMEND introduces two code transformations that remove graph breaks due to dynamic control flow and Python side effects. This design allows PyTorch's compilation pipeline to capture larger, uninterrupted FX graphs without requiring manual refactoring by developers. Evaluation across eight Hugging Face models shows that GRAPHMEND removes graph breaks due to dynamic control flow and Python side effects, reducing the break count to 0 in 6 models and reducing it from 5 to 2 in another model. On NVIDIA RTX 3090 and A40 GPUs, GRAPHMEND achieves up to 75% latency reductions and up to 8% higher end-to-end throughput. These results demonstrate that high-level code transformation is an effective complement to PyTorch's dynamic JIT compilation pipeline, substantially improving both usability and performance.
Authors: Saeed Ghadimi, Woosuk L. Jung, Arnesh Sujanani, David Torregrosa-Bel\'en, Henry Wolkowicz
Abstract: We study optimal diagonal preconditioning using the classical worst-case $\kappa$-condition number and the averaging-based $\omega$-condition number. For the $\kappa$-optimal preconditioning problem, we derive an affine-based pseudoconvex reformulation with three key advantages: all stationary points are global minima, subgradients are inexpensive to compute, and the optimization variable is an $n$-dimensional vector rather than an $n\times n$ matrix as in semidefinite programming (SDP) approaches. We develop a simple and highly efficient subgradient method, with convergence guarantees, for solving this pseudoconvex formulation that is substantially more scalable and accurate than existing SDP-based methods. For the $\omega$-condition number, we provide explicit characterizations of optimal diagonal and block diagonal preconditioners. In particular, we show that several classical preconditioners, including Jacobi and row/column normalization, are $\omega$-optimal, and that matrix balancing schemes monotonically reduce $\omega$ and converge to stationary points of the two-sided problem. To the best of our knowledge, this is the first unified and explicit characterization of optimality conditions for both $\kappa$ and $\omega$-based preconditioning. Our numerical experiments further reveal a striking phenomenon: although $\kappa$-optimal preconditioners achieve stronger reductions in the worst-case condition number, $\omega$-optimal preconditioners are substantially cheaper to compute and yield better performance for iterative methods such as preconditioned conjugate gradient (PCG) and least squares method (LSQR). Moreover, applying $\omega$-optimal scaling to linear systems that are already $\kappa$-optimally preconditioned leads to further improvements in PCG iterations.
Authors: Jiaqi Leng, Xiang Hu, Junxiong Wang, Jianguo Li, Wei Wu, Yucheng Lu
Abstract: Effectively processing long contexts is a critical challenge for language models. While standard Transformers are limited by quadratic complexity and poor length extrapolation, alternative architectures like sliding window attention and state space models sacrifice the ability to effectively utilize the full context due to their fixed-size memory. Chunk-based sparse attention has emerged as a promising paradigm for extreme length generalization, yet the key architectural principles underpinning its success are not yet fully understood. In this work, we present a systematic dissection of these models to identify the core components driving their performance. Through a unified framework and comprehensive ablation studies, we demonstrate that a combination of three design principles is critical: (1) an expressive, non-linear Chunk Encoder with a dedicated CLS token to produce representations for retrieval; (2) a Bypassing Residual Path to stably integrate retrieved global information without it being overridden by the local residual stream; and (3) enforced selection sparsity during pre-training to bridge the train-test distribution gap. We provide a theoretical motivation for intra-chunk information processing and landmark generation. By combining these principles, we establish a new state-of-the-art for training-free length extrapolation, successfully generalizing models trained on a 4K context to 32 million tokens on RULER and BABILong. Our findings provide a clear and empirically-grounded set of design principles for developing future, highly-capable long-context language models.
Authors: Ming Li, Pei Chen, Zhenhao Zhang, Tao Yang, Xinyang Zhang, Han Li, Tianyu Cao, Ming Zeng, Zhuofeng Wu, Meng Jiang, Huasheng Li, Lihong Li, Bing Yin
Abstract: Large Language Models demonstrate strong capabilities in single-turn instruction following but suffer from Lost-in-Conversation (LiC), a degradation in performance as information is revealed progressively in multi-turn settings. Motivated by the current progress on Reinforcement Learning with Verifiable Rewards (RLVR), we propose Curriculum Reinforcement Learning with Verifiable Accuracy and Abstention Rewards (RLAAR), a framework that encourages models not only to generate correct answers, but also to judge the solvability of questions in the multi-turn conversation setting. Our approach employs a competence-gated curriculum that incrementally increases dialogue difficulty (in terms of instruction shards), stabilizing training while promoting reliability. Using multi-turn, on-policy rollouts and a mixed-reward system, RLAAR teaches models to balance problem-solving with informed abstention, reducing premature answering behaviors that cause LiC. Evaluated on LiC benchmarks, RLAAR significantly mitigates LiC performance decay (62.6% to 75.1%) and improves calibrated abstention rates (33.5% to 73.4%). Together, these results provide a practical recipe for building multi-turn reliable and trustworthy LLMs.
Authors: Archer Dodson, Ritabrata Dutta
Abstract: Modern weather forecasting has increasingly transitioned from numerical weather prediction (NWP) to data-driven machine learning forecasting techniques. While these new models produce probabilistic forecasts to quantify uncertainty, their training and evaluation may remain hindered by conventional scoring rules, primarily MSE, which are designed for single time point predictions and ignore the highly correlated data structures present in weather behaviour. This work introduces the signature kernel scoring rule to the domain of weather forecasting, which reframes weather variables as continuous paths to encode temporal and spatial dependencies through iterated integrals. Validated as strictly proper through the use of path augmentations to guarantee uniqueness, the signature kernel provides a theoretically robust metric for forecast verification and model training. Empirical evaluations through weather scorecards on WeatherBench 2 models demonstrate the signature kernel scoring rule's high discriminative power and unique capacity to capture path-dependent interactions. Following previous demonstration of successful adversarial-free probabilistic training, we train sliding window generative neural networks using a predictive-sequential scoring rule on ERA5 reanalysis weather data. Using a lightweight model, we demonstrate that signature kernel based training outperforms climatology for forecast paths of up to fifteen timesteps.
Authors: Parsa Rangriz
Abstract: This paper studies the high-dimensional scaling limits of online stochastic gradient descent (SGD). Building on the recent work of Ben Arous, Gheissari, and Jagannath on the effective dynamics of SGD, we study the critical scaling regime of the step size for single-layer networks. Below this critical regime, the effective dynamics are governed by deterministic (ballistic) limits, whereas at the critical scale, a new correction term emerges that changes the phase diagram. In this regime, near fixed points, the corresponding diffusive (SDE) limits of the effective dynamics reduce to an Ornstein-Uhlenbeck process under certain conditions. These results highlight how the information exponent controls sample complexity and illustrate the limitations of deterministic scaling limits in capturing stochastic fluctuations in high-dimensional learning dynamics.
Authors: Meixiu Long, Duolin Sun, Dan Yang, Yihan Jiao, Lei Liu, Jiahai Wang, BinBin Hu, Yue Shen, Jie Feng, Zhehao Tan, Junjie Wang, Lianzhen Zhong, Jian Wang, Peng Wei, Jinjie Gu
Abstract: Large Language Models (LLMs) have emerged as powerful tools for passage reranking in information retrieval, leveraging their superior reasoning capabilities to address the limitations of conventional models on complex queries. However, current LLM-based reranking paradigms are fundamentally constrained by an efficiency-accuracy trade-off: (1) pointwise methods are efficient but ignore inter-document comparison, yielding suboptimal accuracy; (2) listwise methods capture global context but suffer from context-window constraints and prohibitive inference latency. To address these issues, we propose GroupRank, a novel paradigm that balances flexibility and context awareness. To unlock the full potential of groupwise reranking, we propose an answer-free data synthesis pipeline that fuses local pointwise signals with global listwise rankings. These samples facilitate supervised fine-tuning and reinforcement learning, with the latter guided by a specialized group-ranking reward comprising ranking-utility and group-alignment. These complementary components synergistically optimize document ordering and score calibration to reflect intrinsic query-document relevance. Experimental results show GroupRank achieves a state-of-the-art 65.2 NDCG@10 on BRIGHT and surpasses baselines by 2.1 points on R2MED, while delivering a 6.4$\times$ inference speedup.
Authors: Rodrigo Almeida, Noelia Otero, Miguel-\'Angel Fern\'andez-Torres, Jackie Ma
Abstract: Accurate prediction of extreme weather events remains a major challenge for artificial intelligence-based weather prediction systems. While deterministic models such as FuXi, GraphCast, and SFNO have achieved competitive forecast skill relative to numerical weather prediction, their ability to represent uncertainty and capture extremes is still limited. This study investigates how state-of-the-art deterministic artificial intelligence-based models respond to initial-condition perturbations and evaluates the resulting ensembles in forecasting extremes. Using four perturbation strategies (Gaussian, Perlin noise, Hemispheric Centered Bred Vectors, and Huge Ensembles), we generate 50 member ensembles for the August 2022 Pakistan floods and China heatwave, and complement these case studies with a global threshold-based evaluation. Ensemble skill is assessed against ERA5 and compared with IFS ENS and the AIFS ENS probabilistic model using deterministic and probabilistic metrics. Results show that simpler perturbations like Gaussian and Perlin noise produce similarly realistic ensemble spread and probabilistic skill as flow-based approaches like HCBV and HENS, narrowing but not closing the performance gap with numerical weather prediction ensembles, or native probabilistic models which retain the highest probabilistic skill across variables. Model choice is the dominant factor for ensemble performance, not perturbation method. Across variables, models capture temperature extremes more effectively than precipitation. These findings demonstrate that simple input perturbations can extend deterministic models toward probabilistic forecasting in hardware-constrained settings, supporting artificial intelligence-driven early warning systems.
Authors: Emma Andrews, Prabhat Mishra
Abstract: Classical autoencoders are widely used to learn features of input data. To improve the feature learning, classical masked autoencoders extend classical autoencoders to learn the features of the original input sample in the presence of masked-out data. While quantum autoencoders exist, there is no design and implementation of quantum masked autoencoders that can leverage the benefits of quantum computing and quantum autoencoders. In this paper, we propose quantum masked autoencoders (QMAEs) that can effectively learn missing features of a data sample within quantum states instead of classical embeddings. We showcase that our QMAE architecture can learn the masked features of an image and can reconstruct the masked input image with improved visual fidelity in MNIST-family images. Experimental evaluation highlights that QMAE can significantly outperform (12.86% on average) in classification accuracy compared to state-of-the-art quantum autoencoders in the presence of masks.
Authors: Leo Fillioux, Enzo Ferrante, Paul-Henry Courn\`ede, Maria Vakalopoulou, Stergios Christodoulidis
Abstract: Large foundation models have emerged in the last years and are pushing performance boundaries for a variety of tasks. Training or even finetuning such models demands vast datasets and computational resources, which are often scarce and costly. Adaptation methods provide a computationally efficient solution to address these limitations by allowing such models to be finetuned on small amounts of data and computing power. This is achieved by appending new trainable modules to frozen backbones with only a fraction of the trainable parameters and fitting only these modules on novel tasks. Recently, the VeRA adapter was shown to excel in parameter-efficient adaptations by utilizing a pair of frozen random low-rank matrices shared across all layers. In this paper, we propose PVeRA, a probabilistic version of the VeRA adapter, which modifies the low-rank matrices of VeRA in a probabilistic manner. This modification naturally allows handling inherent ambiguities in the input and allows for different sampling configurations during training and testing. A comprehensive evaluation was performed on the VTAB-1k benchmark and seven adapters, with PVeRA outperforming VeRA and other adapters. Our code for training models with PVeRA and benchmarking all adapters is available https://github.com/leofillioux/pvera.
Authors: M. A. Farooq, G. Di Guglielmo, A. Rajagopala, N. Tran, V. A. Chhabria, A. Arora
Abstract: Qubit readout is a critical operation in quantum computing systems, which maps the analog response of qubits into discrete classical states. Deep neural networks (DNNs) have recently emerged as a promising solution to improve readout accuracy . Prior hardware implementations of DNN-based readout are resource-intensive and suffer from high inference latency, limiting their practical use in low-latency decoding and quantum error correction (QEC) loops. This paper proposes LUNA, a fast and efficient superconducting qubit readout accelerator that combines low-cost integrator-based preprocessing with Look-Up Table (LUT) based neural networks for classification. The architecture uses simple integrators for dimensionality reduction with minimal hardware overhead, and employs LogicNets (DNNs synthesized into LUT logic) to drastically reduce resource usage while enabling ultra-low-latency inference. We integrate this with a differential evolution based exploration and optimization framework to identify high-quality design points. Our results show up to a 10.95x reduction in area and 30% lower latency with little to no loss in fidelity compared to the state-of-the-art. LUNA enables scalable, low-footprint, and high-speed qubit readout, supporting the development of larger and more reliable quantum computing systems.
Authors: Yonggan Fu, Lexington Whalen, Zhifan Ye, Xin Dong, Shizhe Diao, Jingyu Liu, Chengyue Wu, Hao Zhang, Enze Xie, Song Han, Maksim Khadkevich, Jan Kautz, Yingyan Celine Lin, Pavlo Molchanov
Abstract: Diffusion language models (dLMs) have emerged as a promising paradigm that enables parallel, non-autoregressive generation, but their learning efficiency lags behind that of autoregressive (AR) language models when trained from scratch. To this end, we study AR-to-dLM conversion to transform pretrained AR models into efficient dLMs that excel in speed while preserving AR models' task accuracy. We achieve this by identifying limitations in the attention patterns and objectives of existing AR-to-dLM methods and then proposing principles and methodologies for more effective AR-to-dLM conversion. Specifically, we first systematically compare different attention patterns and find that maintaining pretrained AR weight distributions is critical for effective AR-to-dLM conversion. As such, we introduce a continuous pretraining scheme with a block-wise attention pattern, which remains causal across blocks while enabling bidirectional modeling within each block. We find that this approach can better preserve pretrained AR models' weight distributions than fully bidirectional modeling, in addition to its known benefit of enabling KV caching, and leads to a win-win in accuracy and efficiency. Second, to mitigate the training-test gap in mask token distributions (uniform vs. highly left-to-right), we propose a position-dependent token masking strategy that assigns higher masking probabilities to later tokens during training to better mimic test-time behavior. Leveraging this framework, we conduct extensive studies of dLMs' attention patterns, training dynamics, and other design choices, providing actionable insights into scalable AR-to-dLM conversion. These studies lead to the Efficient-DLM family, which outperforms state-of-the-art AR models and dLMs, e.g., our Efficient-DLM 8B achieves +5.4%/+2.7% higher accuracy with 4.5x/2.7x higher throughput compared to Dream 7B and Qwen3 4B, respectively.
Authors: Shir Rozenfeld, Rahul Pankajakshan, Itay Zloczower, Eyal Lenga, Gilad Gressel, Yisroel Mirsky
Abstract: Large language models (LLMs) are increasingly paired with activation-based monitoring to detect and prevent harmful behaviors that may not be apparent at the surface-text level. However, existing activation safety approaches, trained on broad misuse datasets, struggle with poor precision, limited flexibility, and lack of interpretability. This paper introduces a new paradigm: rule-based activation safety, inspired by rule-sharing practices in cybersecurity. We propose modeling activations as cognitive elements (CEs), fine-grained, interpretable factors such as 'making a threat' and 'payment processing', that can be composed to capture nuanced, domain-specific behaviors with higher precision. Building on this representation, we present a practical framework that defines predicate rules over CEs and detects violations in real time. This enables practitioners to configure and update safeguards without retraining models or detectors, while supporting transparency and auditability. Our results show that compositional rule-based activation safety improves precision, supports domain customization, and lays the groundwork for scalable, interpretable, and auditable AI governance. We open source GAVEL and introduce GAVEL Studio, an interactive rule authoring and management tool. Code and datasets are available at github.com/Offensive-AI-Lab/gavel.
Authors: I-Chun Arthur Liu, Krzysztof Choromanski, Sandy Huang, Connor Schenck
Abstract: Leveraging pre-trained 2D image representations in behavior cloning policies has achieved great success and has become a standard approach for robotic manipulation. However, such representations fail to capture the 3D spatial information about objects and scenes that is essential for precise manipulation. In this work, we introduce Contrastive Learning for 3D Multi-View Action-Conditioned Robotic Manipulation Pretraining (CLAMP), a novel 3D pre-training framework that utilizes point clouds and robot actions. From the merged point cloud computed from RGB-D images and camera extrinsics, we re-render multi-view four-channel image observations with depth and 3D coordinates, including dynamic wrist views, to provide clearer views of target objects for high-precision manipulation tasks. The pre-trained encoders learn to associate the 3D geometric and positional information of objects with robot action patterns via contrastive learning on large-scale simulated robot trajectories. During encoder pre-training, we pre-train a Diffusion Policy to initialize the policy weights for fine-tuning, which is essential for improving fine-tuning sample efficiency and performance. After pre-training, we fine-tune the policy on a limited amount of task demonstrations using the learned image and action representations. We demonstrate that this pre-training and fine-tuning design substantially improves learning efficiency and policy performance on unseen tasks. Furthermore, we show that CLAMP outperforms state-of-the-art baselines across six simulated tasks and five real-world tasks. The project website and videos can be found at https://clamp3d.github.io/CLAMP/.
Authors: Lingwei Gu, Nour Jedidi, Jimmy Lin
Abstract: How do large language models (LLMs) know what they know? Answering this question has been difficult because pre-training data is often a "black box" - unknown or inaccessible. The recent release of nanochat - a family of small LLMs with fully open pre-training data - addresses this as it provides a transparent view into where a model's parametric knowledge comes from. Towards the goal of understanding how knowledge is encoded by LLMs, we release NanoKnow, a benchmark dataset that partitions questions from Natural Questions and SQuAD into splits based on whether their answers are present in nanochat's pre-training corpus. Using these splits, we can now properly disentangle the sources of knowledge that LLMs rely on when producing an output. To demonstrate NanoKnow's utility, we conduct experiments using eight nanochat checkpoints. Our findings show: (1) closed-book accuracy is strongly influenced by answer frequency in the pre-training data, (2) providing external evidence can mitigate this frequency dependence, (3) even with external evidence, models are more accurate when answers were seen during pre-training, demonstrating that parametric and external knowledge are complementary, and (4) non-relevant information is harmful, with accuracy decreasing based on both the position and the number of non-relevant contexts. We release all NanoKnow artifacts at https://github.com/castorini/NanoKnow.
Authors: Oliver Hoidn, Albert Vong, Aashwin Mishra, Steven Henke, Matthew Seaberg
Abstract: Ptychographic imaging at synchrotron and XFEL sources requires dense overlapping scans, limiting throughput and increasing dose. Extending coherent diffractive imaging to overlap-free operation on extended samples remains an open problem. Here, we extend PtychoPINN (O. Hoidn \emph{et al.}, \emph{Scientific Reports} \textbf{13}, 22789, 2023) to deliver \emph{overlap-free, single-shot} reconstructions in a Fresnel coherent diffraction imaging (CDI) geometry while also accelerating conventional multi-shot ptychography. The framework couples a differentiable forward model of coherent scattering with a Poisson photon-counting likelihood; real-space overlap enters as a tunable parameter via coordinate-based grouping rather than a hard requirement. On synthetic benchmarks, reconstructions remain accurate at low counts ($\sim\!10^4$ photons/frame), and overlap-free single-shot reconstruction with an experimental probe reaches amplitude structural similarity (SSIM) 0.904, compared with 0.968 for overlap-constrained reconstruction. Against a data-saturated supervised model with the same backbone (16,384 training images), PtychoPINN achieves higher SSIM with only 1,024 images and generalizes to unseen illumination profiles. Per-graphics processing unit (GPU) throughput is approximately $40\times$ that of least-squares maximum-likelihood (LSQ-ML) reconstruction at matched $128\times128$ resolution. These results, validated on experimental data from the Advanced Photon Source and the Linac Coherent Light Source, unify single-exposure Fresnel CDI and overlapped ptychography within one framework, supporting dose-efficient, high-throughput imaging at modern light sources.
Authors: Henry Tischler, Wenting Li, Qi Tang, Danny Perez, Thomas Vogel
Abstract: Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.
Authors: Brendon J. Brewer
Abstract: Bayesian hierarchical models are frequently used in practical data analysis contexts. One interpretation of these models is that they provide an indirect way of assigning a prior for unknown parameters, through the introduction of hyperparameters. The resulting marginal prior for the parameters (integrating over the hyperparameters) is usually dependent, so that learning one parameter provides some information about the others. In this contribution, I will demonstrate that, when the prior given the hyperparameters is a canonical distribution (a maximum entropy distribution with moment constraints), the dependent marginal prior also has a maximum entropy property, with a different constraint. This constraint is on the marginal distribution of some function of the unknown quantities. The results shed light on what information is actually being assumed when we assign a hierarchical model.
Authors: En-Ya Kuo, Sebastien Motsch
Abstract: Imbalanced datasets pose a difficulty in fraud detection, as classifiers are often biased toward the majority class and perform poorly on rare fraudulent transactions. Synthetic data generation is therefore commonly used to mitigate this problem. In this work, we propose the Clustered Embedding Diffusion-Transformer (EmDT), a diffusion model designed to generate fraudulent samples. Our key innovation is to leverage UMAP clustering to identify distinct fraudulent patterns, and train a Transformer denoising network with sinusoidal positional embeddings to capture feature relationships throughout the diffusion process. Once the synthetic data has been generated, we employ a standard decision-tree-based classifier (e.g., XGBoost) for classification, as this type of model remains better suited to tabular datasets. Experiments on a credit card fraud detection dataset demonstrate that EmDT significantly improves downstream classification performance compared to existing oversampling and generative methods, while maintaining comparable privacy protection and preserving feature correlations present in the original data.
Authors: Jinquan Zheng, Jia Yuan, Jiacheng Yao, Chenyang Gu, Pujun Zheng, Guoxiu He
Abstract: Large language models (LLMs) used for multiple-choice and pairwise evaluation tasks often exhibit selection bias due to non-semantic factors like option positions and label symbols. Existing inference-time debiasing is costly and may harm reasoning, while pointwise training ignores that the same question should yield consistent answers across permutations. To address this issue, we propose Permutation-Aware Group Relative Policy Optimization (PA-GRPO), which mitigates selection bias by enforcing permutation-consistent semantic reasoning. PA-GRPO constructs a permutation group for each instance by generating multiple candidate permutations, and optimizes the model using two complementary mechanisms: (1) cross-permutation advantage, which computes advantages relative to the mean reward over all permutations of the same instance, and (2) consistency-aware reward, which encourages the model to produce consistent decisions across different permutations. Experimental results demonstrate that PA-GRPO outperforms strong baselines across seven benchmarks, substantially reducing selection bias while maintaining high overall performance. The code is available on github (https://github.com/ECNU-Text-Computing/PA-GRPO).
Authors: Tiantian Zhang, Jierui Zuo, Michael Chen, Wenping Wang
Abstract: Recent theory suggests that reward-model-first methods can be more sample-efficient than direct policy fitting when the reward function is statistically simpler than the induced policy. We propose DDO-RM, a finite-candidate decision-optimization method that converts reward scores into an explicit target distribution. Unlike PPO-based RLHF or DPO, DDO-RM performs a KL-regularized mirror-descent update to project the policy toward a reward-improved distribution over a candidate set. Preliminary experiments on Pythia-410M show that DDO-RM outperforms DPO in pair accuracy (0.52 to 0.56) and mean margin (0.13 to 0.53). Our framework provides a principled connection between reward learning and mirror-descent policy improvement.
Authors: Baoyun Wang, Zhuoren Li, Ran Yu, Yu Che, Xinrui Zhang, Ming Liu, Jia Hu, Chen Lv, Bo Leng
Abstract: End-to-end diffusion planning has shown strong potential for autonomous driving, but the physical feasibility of generated trajectories remains insufficiently addressed. In particular, generated trajectories may exhibit local geometric irregularities, violate trajectory-level kinematic constraints, or deviate from the drivable area, indicating that the commonly used noise-centric formulation in diffusion planning is not yet well aligned with the trajectory space where feasibility is more naturally characterized. To address this issue, we propose FeaXDrive, a feasibility-aware trajectory-centric diffusion planning method for end-to-end autonomous driving. The core idea is to treat the clean trajectory as the unified object for feasibility-aware modeling throughout the diffusion process. Built on this trajectory-centric formulation, FeaXDrive integrates adaptive curvature-constrained training to improve intrinsic geometric and kinematic feasibility, drivable-area guidance within reverse diffusion sampling to enhance consistency with the drivable area, and feasibility-aware GRPO post-training to further improve planning performance while balancing trajectory-space feasibility. Experiments on the NAVSIM benchmark show that FeaXDrive achieves strong closed-loop planning performance while substantially improving trajectory-space feasibility. These findings highlight the importance of explicitly modeling trajectory-space feasibility in end-to-end diffusion planning and provide a step toward more reliable and physically grounded autonomous driving planners.
Authors: Fariz Ikhwantri, Dusica Marijan
Abstract: An assurance case is a structured argument document that justifies claims about a system's requirements or properties, which are supported by evidence. In regulated domains, these are crucial for meeting compliance and safety requirements to industry standards. We propose a graph diagnostic framework for analysing the structure and provenance of assurance cases. We focus on two main tasks: (1) link prediction, to learn and identify connections between argument elements, and (2) graph classification, to differentiate between assurance cases created by a state-of-the-art large language model and those created by humans, aiming to detect bias. We compiled a publicly available dataset of assurance cases, represented as graphs with nodes and edges, supporting both link prediction and provenance analysis. Experiments show that graph neural networks (GNNs) achieve strong link prediction performance (ROC-AUC 0.760) on real assurance cases and generalise well across domains and semi-supervised settings. For provenance detection, GNNs effectively distinguish human-authored from LLM-generated cases (F1 0.94). We observed that LLM-generated assurance cases have different hierarchical linking patterns compared to human-authored cases. Furthermore, existing GNN explanation methods show only moderate faithfulness, revealing a gap between predicted reasoning and the true argument structure.
Authors: Khai Nguyen
Abstract: We propose a new regularized optimal transport (OT) formulation, termed sliced-regularized optimal transport (SROT). Unlike entropic OT (EOT), which regularizes the transport plan toward an independent coupling, SROT regularizes it toward a smoothened sliced OT (SOT) plan. To the best of our knowledge, SROT is the first approach to leverage a version of SOT plan as a reference to improve classical OT. We provide a formal definition of SROT, derive its dual formulation, and provide a post-Bayesian interpretation of SROT. We then develop a Sinkhorn-style algorithm for efficient computation, retaining the same scalability advantages as EOT. By incorporating a scalable SOT plan as a prior, SROT yields more accurate approximations of the exact OT plan than EOT under the same level of regularization. Moreover, the resulting transport plan improves upon the reference SOT plan itself. We further introduce the corresponding OT divergence induced by SROT, named SROT divergence, and analyze its topological and computational properties. Finally, we validate our approach through experiments on synthetic datasets and color transfer tasks, demonstrating that SROT is better than both EOT and SOT in approximating exact OT. Additional experiments on gradient flows further highlight the advantages of SROT divergence.
Authors: Nilavra Pathak, Olivier Jeunen, Eric Lambert
Abstract: Organizations routinely make strategic budget allocations under operational constraints, but often lack a principled way to assess whether realized allocations were close to the best feasible choices in hindsight. We present a retrospective auditing framework based on hindsight regret, defined as the opportunity cost of the realized allocation relative to a constraint-faithful benchmark under the same budget and stability guardrails. The framework estimates regime-specific spend--response functions from historical logs, computes feasible hindsight allocations via constrained optimization, and propagates uncertainty through Monte Carlo evaluation to produce regret distributions, expected lift, and probability-of-improvement summaries. This separates allocation inefficiency from uncertainty in the estimated response surfaces. Experiments on real marketing allocation logs show that the framework yields interpretable post-hoc diagnostics and reveals a practical trade-off between allocation flexibility and detectability: moderate feasible reallocations often capture most measurable gain, while larger shifts move into weak-support regions with higher uncertainty. The result is a practical method for auditing historical budget decisions when online experimentation is costly or infeasible.
Authors: Zhongkai Yu, Haotian Ye, Chenyang Zhou, Ohm Rishabh Venkatachalam, Zaifeng Pan, Zhengding Hu, Junsung Kim, Won Woo Ro, Po-An Tsai, Shuyi Pei, Yangwook Kang, Yufei Ding
Abstract: All current LLM serving systems place the GPU at the center, from production-level attention-FFN disaggregation to NVIDIA's Rubin GPU-LPU heterogeneous platform. Even academic PIM/PNM proposals still treat the GPU as the central hub for cross-device communication. Yet the GPU's compute-rich architecture is fundamentally mismatched with the memory-bound nature of decode-phase attention, inflating serving latency while wasting power and die area on idle compute units. The problem is compounded as reasoning and agentic workloads push context lengths toward one million tokens, making attention latency the primary user-facing bottleneck. To address these inefficiencies, we present AMMA, a multi-chiplet, memory-centric architecture for low-latency long-context attention. AMMA replaces GPU compute dies with HBM-PNM cubes, roughly doubling the available memory bandwidth to better serve memory-bound attention workloads. To translate this bandwidth into proportional performance gains, we introduce (i) a logic-die microarchitecture that fully exploits per-cube internal bandwidth for decode attention under a minimal power and area budget, (ii) a two-level hybrid parallelism scheme, and (iii) a reordered collective flow that reduces intra-chip die-to-die communication overhead. We further conduct a design-space exploration over per-cube compute power and intra-chip D2D link bandwidth, providing actionable guidance for hardware designers. Evaluations show that AMMA achieves 15.5X lower attention latency and 6.9X lower energy consumption compared with the NVIDIA H100.