Machine Learning
The Singularity Space: A Generative Diffusion Framework for Signal Representation
Eli Bar-Yosef, Amir Averbuch and Eli Turkel
Generative models often represent signals as dense grids of amplitudes, blurring sharp transients that are crucial for the correctness of physical signals. We introduce Singularity Space, a generative framework that represents signals through complex-plane singularities, rooted in the classical pole-residue representation of meromorphic functions. We learn a latent space of physically constrained, per-signal singularity configurations to solve an inverse problem from degraded or partial observations. The framework has three key properties: interpretability, in which each generated singularity configuration corresponds to a set of physical parameters; structural stability, which mitigates Gibbs artifacts at discontinuities; and resolution-free output reconstruction on arbitrary grids without retraining or interpolation. Our framework employs a
transformer-based
diffusion model that directly predicts samples at complex-plane singularity coordinates, subject to
geometric constraints during sampling. As a controlled test case for sharp-feature recovery, we evaluate our framework on 1D Burgers shocks, where each shock is represented by 32 predicted singularities (an $8\times$ reduction versus a 1024-point grid signal). Our framework preserves signal structure ($\text{TV ratio} \approx 1$) under unseen test-time observation noise, achieves a $4.2\times$ lower reconstruction error in zero-shot sub-resolution generalization than a grid-based baseline, and recovers physical parameters to $10^{-4}$ absolute error in-distribution. These results suggest that singularity-based representations may provide a practical foundation for other transient-dominated signals such as
speech and biomedical signals, with potential extension to higher-dimensional domains.
Read the full abstract ▾
Machine Learning
The Spectral Structure of Latent Treatment Effects
Hamza Virk, Bijan Mazaheri and Yihren Wu
Identifying heterogeneous treatment effects under unobserved confounding is central in observational causal inference. In proxy models with a discrete latent confounder, prior Synthetic Potential Outcomes (SPO) [Mazaheri-Squires-Uhler '25] recover the mixture of treatment effects through recursively constructed scalar moments. We show that this sequence is one projection of a more fundamental object. Under the same population factorization assumptions, there is an exact compressed observable operator: after projecting onto the shared proxy signal subspace, the difference of two treatment-arm quotient operators is similar to the diagonal
matrix of latent treatment effects. Its
eigenvalues are the latent effects; its lifted left eigenvectors, after anchor normalization, recover the target-proxy feature
matrix and then the latent mixture proportions. Every scalar SPO moment is a bilinear functional of a power of this operator. The resulting
estimator handles overcomplete proxy systems, replaces high-order scalar inversion with finite-dimensional spectral analysis, and admits high-probability first-order perturbation bounds for treatment effects, feature rows, and simplex-projected mixture weights.
Read the full abstract ▾
Machine Learning
Infrared Organization and Critical Cognitive Field Formation in Transformer Dynamics
Byung Gyu Chae
Large
language models exhibit remarkable emergent behaviors, yet the physical mechanism governing their collective dynamics remains poorly understood. Cognitive Field Theory predicts that learning reorganizes the collective relaxation spectrum, thereby modifying
memory self-energy, long-
memory dynamics, and collective susceptibility through the infrared organization of slow relaxation modes. Here we test this framework directly in
Transformer dynamics. Using publicly available Pythia
language models, we extract relaxation spectra from layer Jacobians throughout training,
prompt ensembles, network depth, and model scale, allowing the collective observables of Cognitive Field Theory to be measured quantitatively. The measurements reveal pronounced infrared reorganization of the relaxation spectrum. Learning substantially redistributes spectral weight while preserving a nearly flat but weakly infrared-enhanced time-scale density of states, \( \rho(\lambda)\sim\lambda^\beta, \qquad \beta\simeq-0.1, \) with a corresponding
memory kernel exhibiting robust long-
memory scaling close to \( K(t)\sim\frac{1}{t}. \) The collective observables further reveal a critical formation process: the
memory self-energy reaches a transient maximum during early training before relaxing toward a metastable near-critical regime.
Prompt-resolved and
token-subspace measurements show that distinct local Jacobians recover a common macroscopic TDOS with shared infrared scaling, consistent with infrared fixed-point organization under coarse graining. The reproducibility of this infrared organization across training,
prompt ensembles, network depth, and
Transformer model scales supports infrared slow-mode organization as a robust collective principle of
Transformer dynamics, providing a quantitative experimental realization of the collective observables predicted by Cognitive Field Theory.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.IR
Normative Alignment of Recommender Systems via Internal Label Shift
Johannes Kruse, Kasper Lindskow, Michael Riis Andersen et al. (+4 more)
We introduce NAILS (Normative
Alignment of Recommender Systems via Internal Label Shift), a simple and scalable method for aligning recommendation outputs with target distributions over item-level attributes, such as categories. Recommender systems optimized solely for user engagement often fail to satisfy broader normative objectives, including
fairness, diversity, and editorial values. NAILS modifies the user-conditional item distribution to induce a specified marginal distribution over attributes while preserving the preferences learned by an existing recommender system and requiring no model retraining. We formulate this problem as a form of label shift applied internally within a hierarchical classification framework. By adopting a stakeholder-centric perspective, NAILS enables recommendation outputs to be aligned with global normative objectives. Empirically, we show that NAILS consistently improves attribute-level
alignment with minimal impact on user engagement, providing a practical mechanism for value-driven recommendation.
Read the full abstract ▾
All authors Johannes Kruse, Kasper Lindskow, Michael Riis Andersen, Ryotaro Shimizu, Julian McAuley, Pierre-Alexandre Mattei, Jes Frellsen
Machine Learning · Cross-listed from cs.IR
ZoRRO: A Zero-Weight Personalized Recommender System for Scalable News Recommendation
Johannes Kruse, Ryotaro Shimizu, Kasper Lindskow et al. (+4 more)
We present ZoRRO (Zero-Weight Personalized Recommender System), a zero-weight, training-free framework for personalized news recommendation designed for scalable real-world deployment. ZoRRO outperforms strong neural baselines in offline ranking evaluations and achieves click-through rate performance in online A/B testing that is nearly on par with a state-of-the-art deep learning model, while operating more than 600 times faster. Our experiments reveal gaps between offline and online performance and demonstrate that models with similar click-through rate outcomes can produce markedly different recommendation distributions, thereby influencing the overall news flow. These findings position ZoRRO as a practical and efficient solution for large-scale news recommendation and highlight the importance of evaluating recommender systems using metrics beyond accuracy alone.
Read the full abstract ▾
All authors Johannes Kruse, Ryotaro Shimizu, Kasper Lindskow, Jon Tofteskov, Michael Riis Andersen, Julian McAuley, Jes Frellsen
Machine Learning · Cross-listed from physics.chem-ph
Transferable Implicit Solvent Machine Learning Potential for Drugs and Proteins Approaching Ab Initio Accuracy
Jan Eckwert and Julija Zavadlav
Machine learning interatomic potentials (MLPs) have revolutionized atomistic modeling, offering the potential to replace traditional methods like Density Functional Theory (DFT). However, inference time of MLPs is orders of magnitude slower than that of classical force fields, hindering real-world applications for biomolecular systems that require timescales of microseconds and beyond. Implicit solvent MLPs can address this issue, but are faced with data challenges associated with coarse-grained modeling. Consequently, previous approaches relied on empirical force field data, thereby inherently limiting the MLP's accuracy. Here, we introduce the Transferable Water Implicit Network (TWIN), an implicit water MLP parametrized entirely by an Equivariant Graph Neural Network and trained solely on ab initio and experimental labels. We demonstrate TWIN's transferability across drug-like molecules, peptides, and
proteins, achieving excellent results on ab initio and experimental crystallographic and NMR
benchmarks, consistently outperforming previous machine-learning-based implicit solvent or coarse-grained models. Furthermore, TWIN closely matches DFT-based explicit solvent MLPs while providing a two-order-of-magnitude faster timestep evaluation, paving the way for efficient ab initio-level modeling of biomolecular systems in aqueous environments.
Read the full abstract ▾
Machine Learning
Singular perturbations and hierarchical learning in two-layer neural networks
Cédric Gerbelot and Jean-Christophe Mourrat
We study the population gradient flow of an infinitely wide two-layer neural network learning a misspecified single-index model in high dimension. The two layers are optimized jointly, with a perturbative parameter tuning the relative training speed between the first and second layer. This setting was considered by Berthier, Montanari and Zhou in \cite{berthier2024learning}, who conjectured a hierarchical learning scenario with explicit timescales as the second layer is trained faster than the first. In this paper, we prove that the constant and linear components of the hidden link function are indeed recovered within the predicted timescales, at sharp explicit thresholds. We then analyze the onset of learning of the quadratic component and show that the components learned at earlier stages continue to influence the dynamics in an essential way. Our proof is based on quantitative approximation results for singularly perturbed flows evolving near a
manifold defined by integral constraints. At a phenomenological level, we also show that the empirical measure of the weights displays singular behaviour when reaching the quadratic component of the hidden link, with a small fraction of
neurons growing significantly while the remaining ones rearrange to preserve the components already learned.
Read the full abstract ▾
Machine Learning
Reliability Scaling Laws for Quantized Large Language Models
Sirine Ayadi, Sándor Daróczi, Stephan Günnemann et al. (+1 more)
Quantization is a powerful strategy to build capable and resource-efficient large
language models (LLMs) by reducing the bitwidth of the parameters. While quantized LLMs achieve state-of-the-art performance on unperturbed inputs using standard predictive metrics, their performance on perturbed inputs, measured using reliability metrics, remains underexplored, despite its importance for reliable deployment. To address this gap, we first conduct a comprehensive reliability evaluation of quantized LLMs consisting of three key components: (1) Uncertainty: We assess the trustworthiness of LLMs quantized to 2, 3, 4, and 8 bits using six different quantization methods, employing established uncertainty metrics. (2) Calibration: We assess how well-calibrated the uncertainty estimates of quantized models are across model scales and bit precisions. (3) Robustness: We design character-level and word-level input perturbations to evaluate the reliability of quantized models under semantically-preserving variations in the inputs that arise in real-world applications. Second, we characterize how reliability scales with the total number of model bits. Our study reveals that while the performance scales monotonically with the total number of bits, the reliability scalings are nonlinear. A reliability peak occurs for 4-bit quantized models, indicating that quantizing moderately sized models offers the best reliability-efficiency trade-off. Additionally, our empirical findings reveal that quantization enhances the robustness of LLMs to natural input perturbations.
Read the full abstract ▾
All authors Sirine Ayadi, Sándor Daróczi, Stephan Günnemann, Bertrand Charpentier
Machine Learning · Cross-listed from cs.CV
Diversify Diffusion with Temperature Sampling and Variance-Corrective Time Shifting
Peizhuo Li, Emre Aksan, Alexandru-Eugen Ichim et al. (+2 more)
Diffusion models faithfully reproduce their training distribution, but also inherit its imbalances and leave rare or under-represented modes hard to reach. A natural inference-time remedy is to sample from the high-temperature target $p^{(\gamma)}_0(x) \propto p_0(x)^{\gamma}$ for $0 < \gamma < 1$, which flattens dominant modes and lifts rare ones. However, naive score scaling while correctly reweighting modes also inflates the per-mode variance, breaking the reverse
diffusion process and degrading sample quality. We introduce variance-corrective time shifting, a training-free fix that queries the network at a shifted timestep and scales the resulting score by $\gamma$, canceling the variance inflation while preserving the mode reweighting. The correction turns simple temperature sampling into a practical diversity knob for pretrained
diffusion and flow-matching backbones with no retraining, and we demonstrate consistent gains at minimal cost to sample quality and condition fidelity across DiT, Stable
Diffusion and Motion
Diffusion models. We further show that the timing of the temperature intervention enables coarse-to-fine control: high-noise stages drive compositional diversity across modes, while low-noise stages drive local appearance variation under a fixed composition.
Read the full abstract ▾
All authors Peizhuo Li, Emre Aksan, Alexandru-Eugen Ichim, Thabo Beeler, Olga Sorkine-Hornung
Machine Learning
Predictive Divergence Masks for LLM RL
Xiangxin Zhou, Jiarui Yao, Penghui Qi et al. (+4 more)
Reinforcement learning for large
language models (LLMs) typically relies on trust-region masks to stabilize off-policy updates. The dominant PPO-style approach uses the sampled-
token importance ratio for two criteria: a proximity criterion, which asks whether the policy has moved too far from the behavior policy, and a direction criterion, which asks whether the update pushes it farther away. Recent work DPPO improves the proximity criterion by replacing PPO's ratio-based test with a probability divergence between the behavior and training policies. However, its direction criterion is still inherited from PPO. A
token can be masked only when the sampled-
token importance ratio moves away from one. We observe that this ratio-based direction criterion is a single-sample proxy that can disagree in sign with the change of the divergence that defines the proximity criterion. We therefore propose the predictive divergence mask, which asks whether the next policy-gradient step will increase or decrease the same divergence used by the trust region. For the discrete softmax policies used in LLM RL, we derive this prediction in closed form. Because production rollout engines expose only a truncated (top-K) view of the vocabulary, we develop two lightweight top-$K$
estimators for this prediction. Detailed analysis shows the divergence-based direction is better aligned with the realized change of the divergence than the sampled ratio, and the resulting masks improve RL training across model scales and precision settings.
Read the full abstract ▾
All authors Xiangxin Zhou, Jiarui Yao, Penghui Qi, Bowen Ping, Jiaqi Tang, Haonan Wang, Tianyu Pang
Machine Learning · Cross-listed from cs.AI
Route, Communicate, and Reason: Gated Routing and Adaptive Depth for Efficient Multi-Agent Reasoning
Sudipto Ghosh and Tanmoy Chakraborty
Multi-
agent ensembling multiplies active parameters and inference cost without answering three basic questions: which
agents to consult, how deeply a query should traverse a hierarchy of
agents, and when inter-
agent communication is worth its cost. We present GRADE (Gated Routing and Adaptive Depth for Efficient
Reasoning), a hierarchical multi-
agent system in which four lightweight learned gates jointly govern
agent selection, hierarchy depth, inter-
agent communication, and branch
pruning. Training uses CoGRPO (Collaborative Group-Relative Policy Optimization), a novel critic-free recipe that adapts GRPO to multi-
agent hierarchies and assigns a shared advantage signal to every gate and
agent that participated in a rollout.
Agent models are drawn from a hot-swappable Expert Registry; per-
agent calibration maps allow experts to be replaced at inference time without retraining. At $\sim$17B average active parameters, GRADE outperforms all baselines on GSM8K, MMLUPro, and GPQA, surpassing the strongest baseline by 4.8 points on MMLUPro at half the active compute. On AIME-2025, where model depth dominates, GRADE remains competitive to existing frameworks. Ablations isolate the hierarchy and masked cross-
attention as the largest contributors to accuracy, and show that per-
agent calibration is necessary for safe hot-swapping.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.CL
Large Language Models for Token-Efficient and Semantic-Preserving Opinion Summarization
Fabrizio Marozzo and Stefano Iannicelli
Opinionated text - spanning product reviews, hotel feedback, and social posts - captures rich signals about user experiences, preferences, and concerns. However, the scale, redundancy, and imbalance of such corpora make it challenging to analyze opinions effectively, particularly when the goal is to generate summaries that remain faithful to the diversity of viewpoints expressed. This paper presents a framework that preserves semantics in LLM-based opinion summarization while minimizing
token usage. We combine multidimensional classification (e.g., sentiment, topics) with a family of stratified sampling strategies to select compact yet representative subsets of opinions before prompting the LLM. Tailored
prompts then produce balanced summaries that surface the salient aspects expressed in the opinions (e.g., strengths and weaknesses of products/hotels). Experiments on Amazon product reviews, Tripadvisor hotel reviews, and X/Twitter posts demonstrate that our method significantly reduces
token usage and computational cost while consistently outperforming traditional AI-based and standard LLM summarization baselines in terms of content coverage, balance, and semantic preservation.
Read the full abstract ▾
Machine Learning
Graph Neural Networks for RFID-Based Spatial Geometry Inference in Spatial AI Systems
Curtis Shull, Merrick Green and Roy Rucker
Indoor spatial understanding remains a fundamental challenge for intelligent systems operating in physical environments. Traditional RFID localization techniques typically estimate positions of tags using signal strength measurements but fail to capture higher-order spatial relationships between objects and infrastructure. Recent work on RFID and wireless indoor localization has increasingly emphasized robust learning under noisy propagation, while recent graph-based localization methods demonstrate the value of relational modeling over isolated samples. This paper introduces a graph-based learning framework that leverages Graph Neural Networks (GNNs) to infer spatial geometry from RFID observations. Rather than predicting isolated coordinates, the proposed system models relationships between RFID readings,
antennas, and physical structures within an indoor floorplan. This framing is aligned with recent graph-based indoor positioning and graph construction literature, where
topology is a first-class source of information for downstream inference. The approach integrates signal strength data, floorplan semantics, and spatial constraints into a graph representation where nodes correspond to RFID observations and edges encode proximity and contextual relationships. A GNN is then trained to predict
geometric patterns such as linear trajectories, rectangular bounding regions, and movement paths of objects in space.
Read the full abstract ▾
Machine Learning
Diachronic Sample Integration: Robust Tail-Risk Estimation with Generative Models
Shuning Zhao, Patrick Wong, Leran Zhang et al. (+1 more)
Deep generative models are increasingly used as simulators for downstream decision-making under data scarcity, but in risk-sensitive applications their usefulness depends on rare adverse scenarios rather than typical samples. Standard generative objectives prioritize bulk distributional fidelity, leaving low-probability tails vulnerable to localized optimization noise and making tail-dependent functionals unstable under finite simulation budgets. We introduce Diachronic Sample Integration (DSI), a test-time inference framework that ensembles generated samples across checkpoints from a
stochastic training trajectory. DSI targets a checkpoint-mixture distribution that averages checkpoint-specific tail fluctuations rather than relying on a single brittle endpoint. We formalize this mechanism through a finite-budget bias-variance theory. Empirically, across multivariate synthetic processes and high-frequency trading data, DSI substantially reduces tail-estimation error compared to single-checkpoint baselines under fixed simulation budgets, outperforming standard
diffusion and state-of-the-art tail-aware baselines without modifying the generative objective.
Read the full abstract ▾
All authors Shuning Zhao, Patrick Wong, Leran Zhang, Xiaolin Hu
Machine Learning
Lower Bound on the Cumulative Constrained Violation for the OGD+Projection algorithm for Constrained Online Convex Optimization (COCO)
Haricharan Balasundaram, Karthick Krishna Mahendran and Rahul Vaze
The problem of constrained online convex optimization is considered, where at each round, once a learner commits to an action $x_t \in \mathcal{X} \subset \mathbb{R}^d$, a convex loss function $f_t$ and a convex constraint function $g_t$ that drives the constraint $g_t(x)\le 0$ are revealed. The objective is to simultaneously minimize the static regret and cumulative constraint violation (CCV) compared to the
benchmark that knows the loss functions and constraint functions $f_t$ and $g_t$ for all $t$ ahead of time, and chooses a static optimal action that is feasible with respect to all $g_t(x)\le 0$. Currently, the best known
algorithm is OGD+Projection
algorithm of [Vaze and Sinha, 2025] that has simultaneous regret of $O(\sqrt{T})$ and CCV of $O(T^{1/3})$ for $d=2$ [Balasundaram et al., 2026], and simultaneous regret of $O(\sqrt{T})$ and CCV of $O(\sqrt{T})$ for any $d$ [Sarkar and Sinha, 2026]. In this paper, we show that the CCV of the OGD+Projection
algorithm is $\Omega (T^{\frac{d-1}{2d}})$. This is the first such lower bound result.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.CL
Diagnosing and Mitigating Thinking Collapse in On-Policy Self-Distillation
Keqin Peng, Chen Li, Yuanxin Ouyang et al. (+2 more)
On-Policy Self-
Distillation (OPSD) has emerged as a crucial paradigm for enhancing and aligning Large
Language Models (LLMs). However, in complex
reasoning tasks, OPSD paradoxically degrades downstream performance. In this paper, we systematically investigate this pathology and identify a severe optimization trap we define as Thinking Collapse – a sharp decline in the model's native intermediate
reasoning behavior, measured by epistemic-
token density (ET per 1k). Through
entropy-based gradient masking and
token-level target analysis, we show that this collapse is triggered by aggressive teacher gradients at high-student-
entropy decision forks, where student epistemic
tokens are frequently suppressed into teacher non-epistemic targets and are highly concentrated in high pointwise student-teacher divergence regions. To resolve this optimization pathology, we propose Adaptive Dual-Perspective OPSD (AD-OPSD), a robust control framework that dynamically moderates the self-
distillation objective. AD-OPSD selectively anchors high-suppression-risk sandboxed
tokens to a reference prior derived from the frozen base model via an asymmetrical pointwise divergence gate, preserving native thinking capacity while retaining OPSD's error-correcting power. Extensive experiments across competitive mathematical
benchmarks show that AD-OPSD improves over standard OPSD by up to +4.1% absolute average accuracy across diverse model scales and
datasets. Further analysis demonstrates that AD-OPSD mitigates thinking collapse and generalizes robustly to different post-training paradigms.
Read the full abstract ▾
All authors Keqin Peng, Chen Li, Yuanxin Ouyang, Yancheng Yuan, Liang Ding
Machine Learning
When does distribution shift break graph neural networks calibration?
Abderaouf Bahi
Graph neural networks (GNNs) are increasingly deployed in real-world applications where distribution shift is un-avoidable. However, how such shifts affect model calibration, defined as the agreement between predictive confidence and actual accuracy, remains poorly understood, and existing graph calibration methods typically rely on labeled validation data from the deployment distribution. In this work, I present the first closed-form theoretical characterization of GNN calibration under distribution shift. I show that calibration is governed by a single scalar quantity that explicitly depends on structural changes between the source and target graphs, as well as feature quality. This characterization precisely identifies when a model becomes over-confident, under-confident, or remains calibrated, and directly yields the optimal temperature scaling strategy. I further extend the analysis to graph convolutional networks with symmetric normalization, multi-class classification, and
covariate shift, and derive a theoretical upper bound on the expected calibration error. My analysis also reveals that, under homogeneous distribution shift, a single global temperature is theoretically optimal, providing a principled explanation for why more complex node-wise recalibration methods offer no additional benefit. Building on these theoretical insights, I propose STAC, a source-free, label-free calibration method. Experiments on synthetic
benchmarks demonstrate substantial calibration improvements, while evaluations on five real-world graph
datasets show that reliable calibration without target labels remains challenging despite the strong predictive power of the theory.
Read the full abstract ▾
Machine Learning
Weight-Adjusted Gradients Reveal Parameter Importance and Failure Modes in LLMs
Shrestha Datta, Hongfu Liu and Anshuman Chhabra
Understanding which parameters are influential in Large
Language Models (LLMs) is central to improving their efficiency, reliability, and interpretability. We introduce Weight-Adjusted Gradients (WAG), a simple yet effective approach for estimating parameter importance that explicitly captures the interaction between model weights and first-order gradient information and identifies parameters that disproportionately influence model behavior, such as those responsible for collapse phenomena in LLMs. Across a range of models and settings, we show that WAG surfaces a tiny but critical subset of parameters (< 0.5 parts per million or 0.00005% of model size) whose modification leads to dramatic degradation in performance, indicating a novel failure mode. These findings also reveal a previously underexplored interplay between weights and gradients, suggesting that parameter importance cannot be fully understood through either signal alone. We demonstrate the practical utility of WAG across several diverse applications, such as expert allocation in Mixture-of-Experts (MoE) architectures, targeted unlearning, mixed-precision quantization, and layer selection for knowledge editing. In sum, WAG can serve as a unified approach for analyzing, debugging, and controlling LLMs, and opens new directions for principled parameter-level interpretation.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.CY
Q-Learning Lab: Teaching Reinforcement Learning Through Learner-Generated Trace Analysis
Ekkachai Jueng
Reinforcement learning is usually introduced through the Bellman update, yet the equation often remains abstract to undergraduates: they watch policy arrows converge but rarely observe how each value is computed or why an action is chosen. We present Q-Learning Lab, a single-file, browser-based, bilingual (Thai/English) tool for teaching tabular Q-learning that requires no installation. Beyond the usual gridworld visualization - color-coded Q-values and policy arrows on a $5 \times 5$ world - the tool exposes a live Bellman-substitution panel showing the numeric update at every step, and logs each transition, including the full pre-action Q-row, the greedy-versus-random decision under $\varepsilon$-greedy exploration, and wall-collision events, into an exportable trace. The central contribution is a learn-export-analyze loop: learners run their own
agent, export the complete trace as CSV, and analyze it themselves, producing learning curves, value heatmaps, and visitation maps, turning a passive demonstration into a source of learner-generated data for reflective inquiry. We validate the tool without human-subject data through three complementary evaluations: (i) correctness of the learned values and policy against a value-iteration ground truth on the identical MDP; (ii) hyperparameter sweeps over $\alpha$, $\gamma$, and $\varepsilon$ showing that every pedagogical claim the tool makes is reproducible; and (iii) a reward-editing study that uses the ground-truth optimal policy to separate two behaviorally identical but diagnostically opposite failure modes - an exploration failure versus genuine reward misspecification - that a single edited reward can produce. We also compare the tool against existing gridworld visualizers, describe its grounding in learning-by-doing pedagogy, and include a 50-minute lesson plan. The tool and all experiment code are openly available.
Read the full abstract ▾
Machine Learning
Hierarchical Bayesian Quadrature
Tim Weiland, Toni Karvonen and Philipp Hennig
Numerical integration is a cornerstone of various scientific computing applications, such as engineering simulations and model evidence computations in probabilistic machine learning.
Bayesian Quadrature uses Gaussian process surrogates that explicitly encode structural assumptions about the integrand to obtain integral estimates with quantified uncertainty. These surrogates are predominantly based on stationary covariance functions, which results in model misspecification for integrands exhibiting nonstationary behavior. We tackle this issue through an adaptively growing, tree-based partition of the integration domain into local stationary models. Our method recombines the local integral estimates through a hierarchy of GP conditioning that reintroduces cross-subdomain correlations, while model selection criteria control the tree growth to avoid unnecessary partitioning. The resulting
algorithm is simple, requires no MCMC, and adapts its evaluation budget to local integrand complexity. On
benchmark integration problems and a model evidence computation for an epidemiological model, Hierarchical
Bayesian Quadrature achieves substantial gains over standard
Bayesian Quadrature on nonstationary integrands while matching its performance on stationary ones.
Read the full abstract ▾
Machine Learning
LSTrans: Efficient Knowledge Transfer for Lightweight and Automated ECG Classification
Yi Zhao, Jiajun Gao, Chenyang Xu et al. (+2 more)
Deploying deep learning models for automated electrocardiogram classification on resource-constrained wearable devices remains challenging due to high computational costs. To address this, we propose LSTrans, a lightweight hybrid model designed for efficient and sensitive ECG analysis. LSTrans introduces a specialized 1D convolutional backbone with an interleaved layer architecture to capture both macroscopic rhythmic trends and microscopic morphological variations. This backbone is cascaded with a
Transformer encoder to model long-range temporal dependencies, incorporating Low-Rank Adaptation across critical layers to compress the model and reduce the trainable parameter space. We further employ homogeneous and heterogeneous knowledge
distillation to transfer diagnostic expertise from high-capacity teacher models to the student. Experimental results on multiple
benchmark datasets demonstrate that LSTrans achieves a competitive balance between diagnostic sensitivity and resource efficiency, substantially reducing peak
memory footprints and training latency during downstream adaptation. The source code is available for review at https://github.com/zyee00128/LSTrans4BIBM.
Read the full abstract ▾
All authors Yi Zhao, Jiajun Gao, Chenyang Xu, Yuxi Zhou, Hao Wang
Machine Learning · Cross-listed from cs.CV
Toward Efficient Weakly Supervised Semantic Segmentation Using Only Low-Magnification Histopathological Images
Dung Minh Do, Nhat-Thanh Huynh, Duc Minh Huynh et al. (+2 more)
Whole-slide images (WSIs) provide rich tissue-level and cellular-level information, but storing and transmitting high-magnification pathology data is resource-intensive. Moreover, annotating WSIs at the pixel level is labor-intensive and time-consuming. Therefore, it is important to investigate whether low-magnification pathology images with limited annotations (i.e., image-level instead of pixel-level labels) can achieve performance comparable to high-magnification images. This paper presents a systematic
benchmark study on weakly supervised histopathological image
segmentation under different low-resolution storage settings. Starting from high-resolution image patches, we simulate lower-magnification inputs and reconstruct them to the original size using interpolation and deep learning-based reconstruction methods before applying the weakly-supervised
segmentation pipeline. This framework enables a quantitative evaluation of how weakly supervised methods respond to different levels of resolution degradation. Experimental results show that reconstruction quality metrics alone are insufficient to predict downstream
segmentation performance. In particular, the study identifies a critical degradation point where the localization of small-scale structures declines significantly. These findings provide practical guidance for designing efficient digital pathology storage systems while maintaining reliable automated analysis. Code is available at https://github.com/Dung-Dx/LowMagWSS
Read the full abstract ▾
All authors Dung Minh Do, Nhat-Thanh Huynh, Duc Minh Huynh, Doanh C. Bui, Khang Nguyen
Machine Learning · Cross-listed from cs.DB
Lightning Fast Matching Dependency Discovery with Desbordante
Alexey Shlyonskikh, Michael Sinelnikov, Daniil Nikolaev et al. (+2 more)
Matching dependency is a generalization of the functional dependency concept, which allows users to apply custom similarity functions for matching individual attributes. Matching dependencies have a wide range of applications for solving various data quality problems, such as entity resolution, data deduplication, data integration, schema matching, and many more. However, their discovery is a very computationally intensive problem, which limits their practical application. In this paper, we describe a number of optimization techniques for HyMD - currently the state-of-the-art
algorithm for the discovery of matching dependencies. These optimizations belong to both technical and scientific domains. The most important of them are: 1) a new sampling technique, 2) a faster generalization lookup technique, and 3) an improved representation of a dependency. The first one aims to raise the efficiency of inference from record pairs, while the last two are designed to speed up
lattice-related operations. To evaluate our optimizations, we implemented our version of HyMD in Desbordante, an open-source high-performance data profiler. Experiments demonstrated that they allow for a speedup of more than 40x over the state-of-the-art implementation on average, reaching a speedup greater than 170x in some cases. Finally, the improved version of HyMD is ready to use by anyone. It comes with bidirectional Python integration, which allows calling the C++
algorithm implementation from Python programs while allowing users to supply their custom matching functions.
Read the full abstract ▾
All authors Alexey Shlyonskikh, Michael Sinelnikov, Daniil Nikolaev, Yurii Litvinov, George Chernishev
Machine Learning · Cross-listed from cs.CV
TOLiD: Bridging the Architecture Gap in Vision Foundation Model to LiDAR Pretraining via Token Lifting for Distillation
Sutharsan Mahendran, Darshana Priyasad, Kaushik Roy et al. (+4 more)
Cross-modal
distillation from
Vision Foundation Models (VFMs) to
LiDAR backbones has recently emerged as a self-supervised pretraining strategy that reduces reliance on dense point-wise annotation for 3D scene understanding. However, existing
distillation pipelines typically treat the VFM as a frozen feature source and train a heterogeneous 3D backbone to match fixed image
embeddings, forcing the student to bridge both the modality gap and the cross-architecture gap between dense ViT
token representations and sparse 3D encoders. We propose TOLiD, a self-supervised pretraining method for
LiDAR representation learning that addresses this gap by coupling a
LiDAR backbone with a student
Vision Transformer (ViT) initialized from a frozen VFM teacher and applying supervision over compatible patch-
token representations. TOLiD converts the set of point features within each image patch frustum into a
token using Frustum Pooling followed by Frustum
Attention, and performs
token-level
distillation with visibility masking. For
LiDAR-only deployment, we lift
token features back to per-point representations using masked bilinear sampling to avoid patches that have limited
LiDAR points. We extensively evaluate TOLiD on five heterogeneous
LiDAR datasets and four cross-sensor adaptation pairs, demonstrating improved transfer with frozen backbones and lightweight heads.
Read the full abstract ▾
All authors Sutharsan Mahendran, Darshana Priyasad, Kaushik Roy, Tharindu Fernando, Sridha Sridharan, Clinton Fookes, Peyman Moghadam
Machine Learning
The VC dimension of partial concept classes via Radon's theorem
Grigory Ivanov, Attila Jung and Márton Naszódi
Following Alon, Hanneke, Holzman, and Moran (FOCS 2021), we define a partial concept class (PCC) as a family of partial functions \(f: V\to\{0,1,\ast\}\); equivalently, its concepts partition the ground set into black ($f^{-1}(1)$), grey ($f^{-1}(\ast)$), and white parts ($f^{-1}(0)$). Its VC dimension is defined by shattering sets on which the value $\ast$ is not taken. We study two
geometric PCCs in real
Banach spaces, both with a margin \(\delta>0\): expanded half-spaces, where the grey part is a strip of width at least \(\delta\) adjacent to a half-space, and expanded balls, where the grey part is an annulus of width \(\delta\) around a unit radius ball. Our main results are dimension-free upper bounds on the VC dimension of the PCC of expanded balls in \(L_p\parenth{\mu}\), \(1\le p<\infty\), including the non-Euclidean and algorithmically particularly relevant case \(\ell^d_1\). These bounds depend on the margin and on the radii, but not on the ambient dimension or the underlying measure space. These are extensions of the work of Bourneuf, Charbit, and Thomassé (FOCS 2025) who studied the PCC of expanded balls in Euclidean space, that is, $\ell_2^d$. We also prove lower bounds on the VC dimension that match the upper bounds in terms of the margin parameter $\delta$. Finally, we derive a Dense Neighborhood Lemma in \(L_p\)-spaces, again extending the known Euclidean results. Our method relies on the linearization of the distance through a map into a space of non-trivial Rademacher type, and then the use of a balanced signed-sum estimate, or a no-dimensional Radon
theorem. The arguments rely on ideas from functional analysis that are clearly explained for the non-expert in that field.
Read the full abstract ▾
Machine Learning · Cross-listed from cs.AI
Filtering Harmful Actions Isn't Enough: Phantom Transfer in Agentic SDF
Chinmayi Dixit
Synthetic data is widely used to train large
language models because it is inexpensive to generate and easy to control. As models are increasingly deployed as
agents, synthetic trajectories are likely to become an important source of training data for agentic behavior. We investigate the effects of training on synthetic agentic trajectories containing
adversarial interactions, including actions such as terminating another
agents process, lowering its scheduling priority, or accessing resources without authorization. We finetune Llama 3.3 70B Instruct on these trajectories, generated to approximate reinforcement learning rollouts, and evaluate the resulting models on Anthropics Agentic Misalignment suite and Apollos in context scheming scenarios. Finetuning on these trajectories consistently increases misaligned behavior. Leaking rises by roughly a factor of five over the baseline, 4.6% to 24.9%. This increase survives the removal of every
adversarial action from the trajectories. Finetuning on structurally comparable trajectories generated benign from the start produce a substantially smaller effect, 15.5%. These results indicate that the misaligned disposition is introduced during the generation process and encoded diffusely throughout the trajectory, rather than being localized to the harmful actions themselves. The effect also depends on the generating model. Benign trajectories produced by Gemini 2.5 Flash induce slightly higher leaking rates than trajectories generated from identical tasks by Claude 3.7 Sonnet. In contrast, broad safety
benchmarks degrade similarly across all finetuned models and therefore fail to distinguish these effects. Our results suggest that action level filtering is insufficient to ensure the safety of synthetic agentic training data and that dispositions introduced by the generating model can survive semantic inspection.
Read the full abstract ▾
Machine Learning
Policy-Driven CT-Agent: Modeling Phase-Aware Diagnostic Control for Clinically Consistent CT Reasoning
Yanmeng Dong, Han Li, Yujia Li et al. (+7 more)
Computed
Tomography (CT) diagnosis often relies on dynamic selection of imaging phases, such as non-contrast, arterial, or venous phases, based on preliminary findings, clinical suspicion, and diagnostic guidelines. This phase-wise decision process is critical for reducing unnecessary radiation exposure while supporting timely staging and treatment planning. However, phase-selection protocols can vary across hospitals, regions, and guidelines, while most existing CT-based AI methods assume that all phases are available and focus on static tasks under a fixed imaging phase, failing to model whether additional phases are required. This limitation stems from heterogeneous multi-phase representations, the need for knowledge-guided phase control beyond visual cues, and the lack of supervision for phase-sufficiency decisions in existing
datasets. To address these challenges, we propose Policy-Driven CT-
Agent (PD-CTAgent) for clinically consistent CT phase selection and diagnostic
reasoning. PD-CTAgent introduces a Clinical Structure Abstraction Module (CSAM) to harmonize heterogeneous CT phases into a unified, phase-aware evidence representation. Based on this representation, a Knowledge-Guided Diagnostic Control Model (KDCM) evaluates phase sufficiency and iteratively requests additional phases when necessary. The policy-driven
agent design further allows PD-CTAgent to flexibly follow different institutional, regional, or guideline-specific diagnostic protocols. Together, PD-CTAgent bridges static CT analysis and real-world clinical workflows. Experiments on two public
datasets, LIDC and MCT-LTDiag, and one private
dataset demonstrate its effectiveness and clinical consistency. Code will be made public upon acceptance.
Read the full abstract ▾
All authors Yanmeng Dong, Han Li, Yujia Li, Jingsong Liu, Xun Ma, Yanzhu Hu, Zhengyang Xu, Zhicheng Li, Nassir Navab, Shaohua Kevin Zhou
Machine Learning
Multi-Scale Convolution with Optimal Transport Attention Effect on Multivariate Time Series
HaoChong Fu and Jian Xu
The analysis of Multivariate Time Series (MTS) plays an important role in a lot of real-world practical applications, but it still remains some challenging problem about capturing multi-granularity structural patterns and suppressing noise appropriately. Multi-Scale Convolution with Optimal Transport
Attention (MSC-OT) is proposed in this paper. MSC-OT is a useful architecture to optimize the
attention mechanism. It combines multi-scale convolution with Sinkhorn optimal transport method based on inverted
embedding. The inverted
embedding approach embeds each variable as a
token and allows the model to capture cross-variate relationships better. MSC-OT consists of two part: (1) Multi-Scale Convolution Enhancement, that applies multi-scale convolutions to
attention score
matrices based on inverted
embedding, capturing local structural patterns in the variate-interaction space induced by compressed temporal representations; (2) Sinkhorn Optimal Transport Regularization, that formulates
attention computation as an optimal transport problem and employs iterative
matrix scaling to ensure balanced information flow across variates. Adaptive Fusion Strategy utilizes softmax-normalized learnable weights to dynamically combine base
attention, convolution-enhanced, and OT-regularized scores. Experiments on widely-used
datasets, including ETT, Electricity, Traffic,
Solar-Energy, and Exchange-Rate, show that MSC-OT achieves well performance in both short-term and long-term
forecasting tasks. Ablation experiments further validate the effectiveness of each proposed component and their synergistic contributions to improving prediction accuracy for multivariate time series
forecasting.
Read the full abstract ▾
Machine Learning
To Answer or to Abstain: Mitigating Search-Agent Hallucinations via Abstention-Aware Reinforcement Learning
Fengji Zhang, Tianyu Fan, Yuxiang Zheng et al. (+4 more)
Recent advances in equipping Large
Language Models (LLMs) with search tools and outcome-reward reinforcement learning (RL) have achieved new state-of-the-art results on open-domain QA tasks. However, we argue that current training paradigms harbor a critical vulnerability: they predominantly reward correct answers but fail to penalize fabricated ones when
retrieval fails, thereby implicitly exacerbating
hallucinations. To address this, we propose Abstention-Aware Reinforcement Learning (AWA-RL), which dynamically shapes the abstention reward utilizing the model's query-specific prior capabilities and continuous on-policy training observations. We also introduce a novel metric, RA-F1, to measure the capability-reliability trade-off. Compared to non-abstaining baselines, AWA-RL boosts absolute precision by up to 10.3% and overall RA-F1 by 2.9%, with only marginal sacrifice in raw accuracy. These results confirm that AWA-RL successfully yields highly capable and reliable search
agents. The code, data, and model weights are publicly available at https://github.com/zfj1998/AWA-RL.
Read the full abstract ▾
All authors Fengji Zhang, Tianyu Fan, Yuxiang Zheng, Xinyao Niu, Chengen Huang, Jacky Keung, Bei Chen
Machine Learning
Beyond Scaffold Splits: Structural-Frontier Evaluation Reveals Hidden Failures in ADMET Models
Jiacheng Zheng, Chang Guo, Zixuan Wang et al. (+2 more)
Molecular property models are commonly evaluated by holding out Bemis-Murcko scaffolds, yet a scaffold identifier is only one notion of chemical unfamiliarity. We introduce a label-free structural-frontier split that reserves the sparsest and most physicochemically remote scaffold groups, and evaluate it on six public experimental or curated ADMET tasks. Against a 70/10/20 scaffold control with identical acyclic grouping, the frontier inflates equally weighted primary error with a taskwise median of 87.0% and a skew-sensitive mean of 130.3% (descriptive task/seed bootstrap interval, 52.1-246.0%). The mean falls to 75.9% once BBB is removed; that endpoint is the one whose score ranking inverts at the frontier. A message-passing graph-network control still shows a large gap (mean 82.8% over four tasks) and does not invert, so a low-capacity head does not explain the effect. We also test Multi-View Frontier Risk Extrapolation (MV-FREX), a count-adjusted tail-risk penalty over four molecular views, and treat it as a falsifiable probe. It changes normalized frontier error by only 0.16% relative to empirical risk minimization for the perceptron head (interval, -0.43-0.84%) and by -1.9% for the graph network; three fixed robust-penalty controls are likewise inconclusive. Against the published Lo-Hi and DataSAIL splitters, the frontier inflates error more on average, though no split is uniformly hardest. An audit of 31,561 marine natural products further shows that OOD status and agreement with legacy ADMET predictions depend on the molecular view, endpoint, and teacher coverage. Split construction and label provenance are important evaluation constraints in their own right, and the tested training penalties do not resolve the frontier failures we observe.
Read the full abstract ▾
All authors Jiacheng Zheng, Chang Guo, Zixuan Wang, Xinyu Liu, Hao Chen