Search research

Topics & fields

5,791–5,820 of 5,970

Papers

Dec 17, 2025physics.chem-ph

NMIRacle: Multi-modal Generative Molecular Elucidation from IR and NMR Spectra

Molecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage generative framework that builds upon recent paradigms in AI-driven spectroscopy with minimal assumptions. In the first stage, NMIRacle learns to reconstruct molecular structures from count-aware fragment representations, capturing both fragment identities and their occurrences. In the second stage, a spectral encoder maps input spectra (IR, 1H-NMR, 13C-NMR) into a latent embedding used to condition the pre-trained generator, which is fine-tuned for direct spectra-to-molecule generation. This formulation bridges fragment-level chemical modeling with spectral evidence, yielding accurate molecular predictions. Empirical results demonstrate that NMIRacle outperforms existing baselines on molecular elucidation, while maintaining robust performance across increasing levels of molecular complexity.
Federico Ottomano, Yingzhen Li, Alex M. Ganose
Dec 17, 2025cs.CL

SGM: Safety Glasses for Multimodal Large Language Models via Neuron-Level Detoxification

Disclaimer: Samples in this paper may be harmful and cause discomfort. Multimodal large language models (MLLMs) enable multimodal understanding but inherit toxic signals from weakly curated pretraining corpora, leading to explicitly toxic outputs, especially under adversarial triggers that late, opaque training-free detoxification methods struggle to handle. We propose SGM, a white-box neuron-level multimodal intervention that acts like safety glasses for toxic neurons: it recalibrates a set of toxicity-associated neurons via expertise-weighted soft suppression, neutralizing harmful cross-modal activations without any parameter updates. We establish MM-TOXIC-QA, a multimodal toxicity data framework, and compare SGM with existing detoxification techniques. Experiments on open-source MLLMs show that SGM mitigates explicit toxicity in standard and adversarial conditions, cutting average harmful rates from 45.0% to 4.5% while preserving fluency and multimodal reasoning. SGM is extensible, and its combined defenses, denoted as SGM*, integrate with existing detoxification methods for stronger safety performance, providing an interpretable, low-cost solution for toxicity-controlled multimodal generation.
Hongbo Wang, AprilPyone MaungMaung, Isao Echizen
Dec 16, 2025cs.CL

Step-Tagging: Toward controlling the generation of Language Reasoning Models through step monitoring

The field of Language Reasoning Models (LRMs) has been very active over the past few years with advances in training and inference techniques enabling LRMs to reason longer, and more accurately. However, a growing body of studies show that LRMs are still inefficient, over-generating verification and reflection steps. To address this challenge, we introduce the Step-Tagging framework, a lightweight sentence-classifier enabling real-time annotation of the type of reasoning steps that an LRM is generating. To monitor reasoning behaviors, we introduced ReasonType: a novel taxonomy of reasoning steps. Building on this framework, we demonstrated that online monitoring of the count of specific steps can produce effective interpretable early stopping criteria of LRM inferences. We evaluate the Step-tagging framework on three open-source reasoning models across standard benchmark datasets: MATH500, GSM8K, AIME and non-mathematical tasks (GPQA and MMLU-Pro). We achieve 20 to 50% token reduction while maintaining comparable accuracy to standard generation, with largest gains observed on more computation-heavy tasks. This work offers a novel way to increase control over the generation of LRMs, and a new tool to study behaviors of LRMs.
Yannis Belkhiter, Seshu Tirupathi, Giulio Zizzo +1
Dec 15, 2025cs.CL

NRR-Core: Non-Resolution Reasoning as a Computational Framework for Contextual Identity and Ambiguity Preservation

Language-processing systems that optimize for a single resolved output risk losing ambiguity. With incomplete context, competing interpretations may be compressed prematurely. We specify Non-Resolution Reasoning (NRR) as an explicit retention-commitment interface for preserving context-indexed alternatives until evidence supports commitment. NRR organizes context-indexed alternatives, independently active weights, declared retention and commitment operations, and non-destructive output projection around three principles: Context-indexed Non-Identity, Approximate Identity, and Non-Resolution. It specifies a retained state and candidate operator vocabulary, and proposes Multi-Vector Embeddings, Non-Collapsing Attention, and Contextual Identity Tracking as implementable architectural realizations. In a reproducible synthetic two-turn task, one gated Multi-Vector-Embedding instantiation maintains high output entropy before disambiguating context arrives (H=0.91H = 0.91 bits, near the 1.01.0-bit maximum), while a controlled single-embedding baseline has low entropy (H=0.15H = 0.15 bits); both tested systems resolve correctly after context arrives. Thus, high pre-context output uncertainty and accurate later resolution can coexist in the tested gated configuration. This result does not validate the full NRR architecture or matched-parameter superiority; the specification, proposed components, and demonstrated behavior remain distinct contribution layers. NRR targets premature commitment, not commitment itself: alternatives can remain available while evidence is incomplete, and commitment occurs at explicit output or action gates. The question is not whether AI should resolve ambiguity, but when, how, and under whose control. Implementation: https://github.com/kei-saito-research/nrr-core. Series hub: https://github.com/kei-saito-research/nrr-series-hub.
Kei Saito
Dec 12, 2025cs.CV

Uncertainty-Aware Domain Adaptation for Vitiligo Segmentation in Clinical Photographs

Accurately quantifying vitiligo extent in routine clinical photographs is crucial for longitudinal monitoring of treatment response. We propose a trustworthy, frequency-aware segmentation framework built on three synergistic pillars: (1) a data-efficient training strategy combining domain-adaptive pre-training on the ISIC 2019 dataset with an ROI-constrained dual-task loss to suppress background noise; (2) an architectural refinement via a ConvNeXt V2-based encoder enhanced with a novel High-Frequency Spectral Gating (HFSG) module and stem-skip connections to capture subtle textures; and (3) a clinical trust mechanism employing K-fold ensemble and Test-Time Augmentation (TTA) to generate pixel-wise uncertainty maps. Extensive validation on an expert-annotated clinical cohort demonstrates superior performance, achieving a Dice score of 85.05% and significantly reducing boundary error (95% Hausdorff Distance improved from 44.79 px to 29.95 px), consistently outperforming strong CNN (ResNet-50 and UNet++) and Transformer (MiT-B5) baselines. Notably, our framework demonstrates high reliability with zero catastrophic failures and provides interpretable entropy maps to identify ambiguous regions for clinician review. Our approach suggests that the proposed framework establishes a robust and reliable standard for automated vitiligo assessment.
Wentao Jiang, Vamsi Varra, Caitlin Perez-Stable +3
Dec 12, 2025cs.HC

Mirror Skin: In Situ Visualization of Robot Touch Intent on Robotic Skin

Effective communication of robot touch intent is essential for safe and predictable physical human-robot interaction. While intent communication has been widely studied, existing approaches lack the spatial specificity and semantic depth necessary to efficiently convey robot touch intent. We present Mirror Skin, a cephalopod inspired concept that mirrors in-situ visual representations of a human's body parts onto the corresponding robot's touch region to communicate who shall initiate touch, where it will occur, and when it is imminent. We informed the design of Mirror Skin through a structured design exploration with experts and demonstrate the real-world feasibility of Mirror Skin with a proof-of-concept prototype. User studies in VR and with the physical prototype showed that Mirror Skin significantly improves accuracy and response times for interpreting touch intent and improves the user experience during physical human-robot interactions.
David Wagmann, Matti Krüger, Chao Wang +2
Dec 10, 2025quant-ph

Graph-Based Bayesian Optimization for Quantum Circuit Architecture Search with Uncertainty Calibrated Surrogates

Quantum circuit design is a key bottleneck for practical quantum machine learning on complex, real-world data. We present an automated framework that discovers and refines variational quantum circuits (VQCs) using graph-based Bayesian optimization with a graph neural network (GNN) surrogate. Circuits are represented as graphs and mutated and selected via an expected improvement acquisition function informed by surrogate uncertainty with Monte Carlo dropout. Candidate circuits are evaluated with a hybrid quantum-classical variational classifier on the next generation firewall telemetry and network internet of things (NF-ToN-IoT-V2) cybersecurity dataset, after feature selection and scaling for quantum embedding. We benchmark our pipeline against an MLP-based surrogate, random search, and greedy GNN selection. The GNN-guided optimizer consistently finds circuits with lower complexity and competitive or superior classification accuracy compared to all baselines. Robustness is assessed via a noise study across standard quantum noise channels, including amplitude damping, phase damping, thermal relaxation, depolarizing, and readout bit flip noise. The implementation is fully reproducible, with time benchmarking and export of best found circuits, providing a scalable and interpretable route to automated quantum circuit discovery.
Prashant Kumar Choudhary, Nouhaila Innan, Muhammad Shafique +1
Dec 10, 2025cs.CV

FunPhase: A Periodic Functional Autoencoder for Motion Generation via Phase Manifolds

Learning natural body motion remains challenging due to the strong coupling between spatial geometry and temporal dynamics. Embedding motion in phase manifolds, latent spaces that capture local periodicity, has proven effective for motion prediction; however, existing approaches are tied to fixed skeletons and narrow motion distributions, limiting their applicability across diverse settings. We introduce FunPhase, a functional periodic autoencoder that learns a phase manifold for motion and replaces discrete temporal decoding with a function-space formulation, enabling smooth trajectories that can be sampled at arbitrary temporal resolutions. FunPhase unifies motion prediction and generation within a single interpretable phase manifold, enabling motion generation via latent diffusion, generalizes across skeletons and datasets, and supports downstream tasks such as motion super-resolution and partial-body completion. Our model achieves substantially lower reconstruction error than prior periodic autoencoder baselines, achieving uniform improvements of at least 45%45\% across all metrics, while enabling a broader range of applications and performing on par with state-of-the-art motion generation methods.
Marco Pegoraro, Evan Atherton, Bruno Roy +2
Dec 9, 2025cs.CV

GimbalDiffusion: Gravity-Aware Camera Control for Video Generation

Recent progress in text-to-video generation has achieved remarkable realism, yet fine-grained control over camera motion and orientation remains elusive, especially with extreme trajectories (e.g., a 180-degree turnaround, or looking directly up or down). Existing approaches typically encode camera trajectories using relative or ambiguous representations, limiting precise geometric control and offering limited support for large rotations. We introduce GimbalDiffusion, a framework that enables camera control grounded in physical-world coordinates, using gravity as a global reference. Instead of describing motion relative to previous frames, our method defines camera trajectories in an absolute coordinate system, allowing accurate, interpretable control over camera parameters. Using panoramic 360-degree videos for training, we cover the full sphere of possible viewpoints, including combinations of extreme pitch and roll that are out-of-distribution of conventional video data. To improve camera control, we introduce null-pitch conditioning, a strategy that prevents the model from overriding camera specifications in the presence of conflicting prompt content (e.g., generating grass while the camera points toward the sky). Finally, we propose new benchmarks to evaluate gravity-aware camera-controlled video generation, assessing models' ability to generate extreme camera angles and quantify their input prompt entanglement.
Frédéric Fortier-Chouinard, Yannick Hold-Geoffroy, Valentin Deschaintre +2
Dec 8, 2025cs.LG

CLARITY: Medical World Model for Guiding Treatment Decisions by Modeling Context-Aware Disease Trajectories in Latent Space

Clinical decision-making in oncology requires predicting dynamic disease evolution, a task current static AI predictors cannot perform. While world models (WMs) offer a paradigm for generative prediction, existing medical applications remain limited. Existing methods often rely on stochastic diffusion models, focusing on visual reconstruction rather than causal, physiological transitions. Furthermore, in medical domain, models like MeWM typically ignore patient-specific temporal and clinical contexts and lack a feedback mechanism to link predictions to treatment decisions. To address these gaps, we introduce CLARITY, a medical world model that forecasts disease evolution directly within a structured latent space. It explicitly integrates time intervals (temporal context) and patient-specific data (clinical context) to model treatment-conditioned progression as a smooth, interpretable trajectory, and thus generate physiologically faithful, individualized treatment plans. Finally, CLARITY introduces a novel prediction-to-decision framework, translating latent rollouts into transparent, actionable recommendations. CLARITY demonstrates state-of-the-art performance in treatment planning. On the MU-Glioma-Post dataset, our approach outperforms recent MeWM by 12%, and significantly surpasses all other medical-specific large language models.
Tianxingjian Ding, Yuanhao Zou, Chen Chen +2
Dec 8, 2025cs.CL

Training Language Models to Use Prolog as a Tool

Language models frequently produce plausible yet incorrect reasoning traces that are difficult to verify. We investigate fine-tuning models to use Prolog as an external symbolic reasoning tool, training Qwen2.5-3B-Instruct with Group Relative Policy Optimization (GRPO) on a cleaned version of GSM8K (which we release as gsm8k-prolog-prover). We systematically vary prompt structure, reward composition (execution, syntax, semantics, structure), and inference protocol (single-try, multiple-try, and two agentic modes). Our reinforcement learning approach outperforms supervised fine-tuning on GSM8K, and the resulting 3B model achieves zero-shot performance on MMLU-STEM and MMLU-Pro competitive with 7B few-shot baselines. Most importantly, we identify an accuracy--auditability trade-off: configurations tuned for correctness alone learn to delegate reasoning to natural language and use Prolog only for the final computation, while configurations rewarded for symbolic structure produce fully auditable programs at a cost in accuracy. We interpret this trade-off as a form of reward hacking and discuss its implications for deploying neurosymbolic systems in safety-critical domains. The source code for our experiments is available under https://github.com/aisilab/Prolog-as-a-Tool
Niklas Mellgren, Peter Schneider-Kamp, Lukas Galke Poech
Dec 4, 2025math.OC

An Energy-Based Mechanism for Compositional Behavior

Flexible intelligence relies on the ability to reuse previously acquired behaviors and combine them differently as circumstances change. In biological and artificial systems, this ability is often attributed to gating mechanisms that determine how much each available behavior should contribute at a given time. Yet these gating rules, the dynamics that compute them, and the neural circuits that may implement them are usually introduced separately, leaving unclear whether they reflect a common underlying principle. Here, we show that they can all be derived from a single variational principle for behavioral composition. The resulting mechanism naturally gives rise to softmax gating, evolves as an energy-based dynamical system with guaranteed convergence, and admits a recurrent neural network instantiation featuring context-dependent and local interactions. Across collective behavior, human decision-making, and layered control, the same mechanism reproduces characteristic behavioral patterns, provides interpretable accounts of how different behaviors are combined, and matches or outperforms established approaches. These results provide a unified account of how behavioral composition can emerge from a common principle, with implications for understanding flexible behavior in natural systems and for designing artificial agents that can adapt by recombining existing capabilities.
Francesca Rossi, Veronica Centorrino, Francesco Bullo +1
Nov 30, 2025cs.CV

Generalised Medical Phrase Grounding

Medical phrase grounding (MPG) maps textual descriptions of radiological findings to corresponding image regions. These grounded reports are easier to interpret, especially for non-experts. Existing MPG systems mostly follow the referring expression comprehension (REC) paradigm and return exactly one bounding box per phrase. Real reports often violate this assumption. They contain multi-region findings, non-diagnostic text, and non-groundable phrases, such as negations or descriptions of normal anatomy. Motivated by this, we reformulate the task as generalised medical phrase grounding (GMPG), where each sentence is mapped to zero, one, or multiple scored regions. To realise this formulation, we introduce the first GMPG model: MedGrounder. We adopted a two-stage training regime: pre-training on report sentence--anatomy box alignment datasets and fine-tuning on report sentence--human annotated box datasets. Experiments on PadChest-GR and MS-CXR show that MedGrounder achieves strong zero-shot transfer and outperforms REC-style and grounded report generation baselines on multi-region and non-groundable phrases, while using far fewer human box annotations. Finally, we show that MedGrounder can be composed with existing report generators to produce grounded reports without retraining the generator.
Wenjun Zhang, Shekhar S. Chandra, Aaron Nicolson
Nov 29, 2025cs.LG

Tracing Mathematical Proficiency Through Problem-Solving Processes

Knowledge Tracing (KT) aims to model student's knowledge state and predict future performance to enable personalized learning in Intelligent Tutoring Systems. However, traditional KT methods face fundamental limitations in explainability, as they rely solely on the response correctness, neglecting the rich information embedded in students' problem-solving processes. To address this gap, we propose Knowledge Tracing Leveraging Problem-Solving Process (KT-PSP), which incorporates students' problem-solving processes to capture the multidimensional aspects of mathematical proficiency. We also introduce KT-PSP-25, a new dataset specifically designed for KT-PSP. Building on this, we present StatusKT, a KT framework that employs a teacher-student-teacher three-stage LLM pipeline to extract students' Mathematical Proficiency (MP) as intermediate representation. In this pipeline, the teacher LLM first extracts problem-specific proficiency indicators, then a student LLM generates responses based on the student's solution process, and a teacher LLM evaluates these responses to determine mastery of each indicator. The experimental results on KT-PSP-25 demonstrate that StatusKT improves the prediction performance of existing KT methods. Moreover, StatusKT provides interpretable explanations for its predictions by explicitly modeling students' mathematical proficiency. Code is available \href{https://github.com/jungyangpark/KT-PSP-25}{here}.
Jungyang Park, Suho Kang, Jaewoo Park +4
Nov 28, 2025cs.LG

Freeze, Diffuse, Decode: Task-Aware Adaptation of Transformer Embeddings for Antimicrobial Peptide Design

Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies: fine-tuning and probing, either distort the pretrained geometric structure of the embeddings or lack sufficient expressivity to capture task-relevant signals. These issues become even more pronounced when supervised data are scarce. Here, we introduce Freeze, Diffuse, Decode (FDD), a novel diffusion-based framework that adapts pre-trained embeddings to downstream tasks while preserving their underlying geometric structure. FDD propagates supervised signal along the intrinsic manifold of frozen embeddings, enabling a geometry-aware adaptation of the embedding space. Applied to antimicrobial peptide design, FDD yields low-dimensional, predictive, and interpretable representations that support property prediction, retrieval, and latent-space interpolation.
Pankhil Gawade, Adam Izdebski, Myriam Lizotte +4
Nov 27, 2025cs.LG

Mixed Data Clustering Survey and Challenges

The advent of the big data paradigm has transformed how industries manage and analyze information, ushering in an era of unprecedented data volume, velocity, and variety. Within this landscape, mixed-data clustering has become a critical challenge, requiring innovative methods that can effectively exploit heterogeneous data types, including numerical and categorical variables. Traditional clustering techniques, typically designed for homogeneous datasets, often struggle to capture the additional complexity introduced by mixed data, underscoring the need for approaches specifically tailored to this setting. Hierarchical and explainable algorithms are particularly valuable in this context, as they provide structured, interpretable clustering results that support informed decision-making. This paper introduces a clustering method grounded in pretopological spaces. In addition, benchmarking against classical numerical clustering algorithms and existing pretopological approaches yields insights into the performance and effectiveness of the proposed method within the big data paradigm.
Maxence Choufa, Clement Cornet, Guillaume Guerard +2
Nov 24, 2025cs.LG

Understanding the Staged Dynamics of Transformers in Learning Latent Structure

Language modeling has shown us that transformers can discover latent structure from context, but the dynamics of how they acquire different components of that structure remain poorly understood, leading to assertions that models just remix training data. In this work, we use the Alchemy benchmark in a controlled setting (Wang et al.,2021) to investigate latent structure learning. We train a small decoder-only transformer on three task variants: 1) inferring missing transitions from partial contextual information, 2) composing simple rules to solve multi-transition sequences, and 3) decomposing complex multi-step examples to infer intermediate transitions. By factorizing each task into interpretable components, we show that the model learns the different latent structure components in discrete stages. We also observe an asymmetry: the model composes fundamental transitions robustly, but struggles to decompose complex examples to discover the atomic transitions. Finally, using causal interventions, we identify layer-specific plasticity windows during which freezing substantially delays or prevents stage completion. These findings provide insight into how a transformer model acquires latent structure, offering a detailed view of how capabilities evolve during training.
Rohan Saha, Farzane Aminmansour, Alona Fyshe
Nov 24, 2025cs.CV

Thinking Ahead: Foresight Intelligence in MLLMs and World Model

In this work, we define Foresight Intelligence as the capability to anticipate and interpret future events-an ability essential for applications such as autonomous driving, yet largely overlooked by existing research. To bridge this gap, we introduce FSU-QA, a new Visual Question-Answering (VQA) dataset specifically designed to elicit and evaluate Foresight Intelligence. Using FSU-QA, we conduct the first comprehensive study of state-of-the-art Vision-Language Models (VLMs) under foresight-oriented tasks, revealing that current models still struggle to reason about future situations. Beyond serving as a benchmark, FSU-QA also enables the assessment of world models by measuring the semantic coherence of their generated predictions, quantified through performance gains when VLMs are augmented with such outputs. Our experiments further demonstrate that FSU-QA can effectively enhance foresight reasoning: even small VLMs fine-tuned on FSU-QA surpass much larger, advanced models by a substantial margin. Together, these findings position FSU-QA as a principled foundation for developing next-generation models capable of truly anticipating and understanding future events. Furthermore, beyond model performance, we examine whether WM-generated predictions remain semantically consistent by using VLM-based proxy judges, and validate this evaluation protocol through shuffled control experiments. Fine-tuning models on FSU-QA leads to substantial improvements in foresight understanding, demonstrating the dataset's effectiveness and offering a principled foundation for future research.
Zhantao Gong, Liaoyuan Fan, Qing Guo +3
Nov 22, 2025cs.CV

Together, Then Apart: Balancing Alignment and Distinctiveness for Multimodal Survival Analysis

Multimodal survival analysis aims to improve cancer prognosis using heterogeneous biomedical data, such as histopathology images and genomic profiles. A common strategy is to align representations across modalities so that shared signals can be captured. However, strong cross-modal alignment can also remove modality-specific evidence that is critical for survival prediction. In this paper, we revisit multimodal survival learning from a simple observation: effective models should first discover shared patterns across modalities, and then preserve modality-specific signals. This motivates a representation learning principle that we refer to as Together Then Apart. Based on this idea, we propose TTA, a framework that balances cross-modal alignment and representation distinctiveness. TTA first performs prototype-based alignment to capture shared survival-related structures between modalities. It then encourages modality-specific distinctiveness through an anchor-guided contrastive objective. To further account for modality imbalance and noisy correspondences, we model cross-modal interactions using unbalanced optimal transport. We evaluate the proposed approach on multiple TCGA cancer cohorts with paired histopathology and genomic data. TTA consistently improves survival prediction over recent multimodal survival models. Moreover, the learned prototype structures reveal interpretable cross-modal patterns associated with clinical outcomes.
Wenjing Liu, Qin Ren, Wen Zhang +2
Nov 21, 2025cs.CV

REMSA: Foundation Model Selection for Remote Sensing via a Constraint-Aware Agent

Foundation Models (FMs) are increasingly integrated into remote sensing (RS) pipelines. These models include unimodal vision encoders and multimodal architectures. FMs are adapted to diverse perception tasks, such as image classification, change detection, and visual question answering. However, selecting the most suitable remote sensing foundation model (RSFM) for a specific task remains challenging due to scattered documentation, heterogeneous formats, and complex deployment constraints. To address this, we first introduce the RSFM Database (RS-FMD), the first structured and schema-guided resource covering over 160 RSFMs trained on various data modalities, spanning different spatial, spectral, and temporal resolutions, considering different learning paradigms. Built upon RS-FMD, we further present REMSA, a constraint-aware agent that enables automated RSFM selection from natural language queries. REMSA combines structured FM metadata retrieval with a task-driven decision workflow. In detail, it interprets user input, clarifies missing constraints, ranks models via in-context learning, and provides transparent justifications. Our system supports various RS tasks and data modalities, enabling personalized, reproducible, and efficient FM selection. To evaluate REMSA, we construct a benchmark of 100 expert-verified RS query scenarios. Each query is evaluated across 4 systems and 3 LLM backbones, with the top-3 selected models manually assessed by domain experts. This results in 3,000 expert-scored task--system--model configurations under our novel expert-centered evaluation protocol. REMSA outperforms multiple baselines, showing its practical utility in real decision-making applications. REMSA operates entirely on publicly available metadata of open source RSFMs, without accessing private or sensitive data.
Binger Chen, Tacettin Emre Bök, Behnood Rasti +2
Nov 17, 2025cs.LG

Finding Kissing Numbers with Game-theoretic Reinforcement Learning

Since Isaac Newton first studied the Kissing Number Problem in 1694, determining the maximal number of non-overlapping spheres around a central sphere has remained a defining challenge in discrete geometry. As the local analogue of Hilbert's 18th problem, it has profound implications across geometry, number theory and information theory. Although lattices and codes have achieved significant progress, the field is confined to isolated extremal configurations, leaving underlying geometric principles obscured. Here we shift the object to the broader extremal configuration space, thereby opening a new path for the Kissing Number Problem. Accordingly, we recast this problem as a cooperative matrix-completion game, and train a reinforcement learning system, PackingStar, to solve it. One player fills cosine entries while the other corrects suboptimal ones, making explosive geometric complexity tractable. Working within extremal configuration spaces, PackingStar discovers new interpretable geometric structures that improve 15 strong bounds held for decades in kissing numbers and their generalizations, several of them provably optimal under natural inner products. These findings reveal the first explicit spherical-code realization of the Fischer group Fi22, extend the classical Euclidean representation of subgroup structure, and directly inspire subsequent breakthroughs by mathematicians. Overall, the work provides an early example of AI-driven progress on a Hilbert-calibre problem, showing how reinforcement learning advances mathematical discovery by unlocking more expressive objects.
Chengdong Ma, Théo Tao Zhaowei, Pengyu Li +6
Nov 12, 2025cs.CL

A Neurosymbolic Approach to Natural Language Formalization and Verification

Large Language Models perform well at natural language interpretation and reasoning, but their lack of formal correctness guarantees limits their adoption in regulated industries like finance and health-care that operate under strict policies. To address this limitation, we launched Automated Reasoning checks (ARc): a public service that (1) uses LLMs with optional human guidance to formalize natural language policies, allowing fine-grained control of the formalization process, and (2) uses inference-time autoformalization to validate logical correctness of natural language statements against those policies. ARc performs multiple redundant formalization steps at inference time, checking the formalizations for semantic equivalence. Our benchmarks show that ARc exceeds 99% soundness and achieves a near-zero false positive rate in identifying logical validity. Our approach produces auditable artifacts that substantiate the verification outcomes and can be used to improve the original text. ARc is the first commercial offering from a major cloud provider to integrate automated reasoning into a generative AI guardrail.
Chenyang An, Sam Bayless, Stefano Buliani +27
Nov 11, 2025cs.LG

Are Current Continual Learning Methods Truly Agnostic? Introducing OPRE, a Step Toward Agnostic Continual Learning

In order to achieve Continual Learning (CL), the problem of catastrophic forgetting, one that has plagued neural networks since their inception, must be overcome. The evaluation of continual learning methods relies on splitting a known homogeneous dataset and learning the associated tasks one after the other. We argue that most CL methods introduce a priori information about the data to come and cannot be considered agnostic. We exemplify this point with the case of methods relying on pretrained feature extractors, which are still used in CL. After showing that pretrained feature extractors imply a loss of generality with respect to the data that can be learned by the model, we then discuss other kinds of a priori information introduced in other CL methods. We then present the Online Patch Redundancy Eliminator (OPRE), an online dataset-compression algorithm that discards information through two explicit, input-space criteria. With a classifier that was randomly initialized at test time, OPRE's performance matches reported state-of-the-art online continual-learning methods on CIFAR 10 and CIFAR-100 without any pretrained feature extractor, and outperforms GDumb at an identical memory budget-while making only minimal and interpretable assumptions about the data to come. We frame these results as an empirical, information-theoretic perspective on continual learning.
Raphaël Bayle, Martial Mermillod, Robert M. French
Nov 10, 2025cs.LG

Can Stationary Distributions of Scale-Invariant Neural Networks Be Described by the Thermodynamics of an Ideal Gas?

Understanding the training dynamics of deep neural networks remains a major open problem, with physics-inspired approaches offering promising insights. Building on this perspective, we develop a thermodynamic framework to describe the stationary distributions of stochastic gradient descent (SGD) with weight decay for scale-invariant neural networks, a setting that both reflects practical architectures with normalization layers and permits theoretical analysis. We establish analogies between training hyperparameters (e.g., learning rate, weight decay) and thermodynamic variables such as temperature, pressure, and volume. Starting with a simplified isotropic noise model, we uncover a close correspondence between SGD dynamics and ideal gas behavior, validated through theory and simulation. Extending to training of neural networks, we show that key predictions of the framework, including the behavior of stationary entropy, align closely with experimental observations. This framework provides a principled foundation for interpreting training dynamics and may guide future work on hyperparameter tuning and the design of learning rate schedulers.
Ildus Sadrtdinov, Ekaterina Lobacheva, Ivan Klimov +3
Nov 9, 2025math.OC

Feature weighting for data analysis via evolutionary simulation

We analyze an algorithm for assigning weights prior to scalarization in discrete multi-objective problems arising from data analysis. The algorithm evolves weights (interpreted as the relevance of features) by a replicator-type dynamic on the standard simplex, with update indices computed from a normalized data matrix. We prove that the resulting sequence converges globally to a unique interior equilibrium, yielding non-degenerate limiting weights.
Aris Daniilidis, Alberto Domínguez Corella, Philipp Wissgott
Nov 7, 2025cs.CL

BudgetMem: Training-Free Selective Memory for Cost-Efficient Long-Context Processing in Language Models

Processing long documents with large language models (LLMs) is expensive: a single query over a 100K-token document can cost from tens of cents to over a dollar in API fees, depending on the model, and memory grows linearly with context length. We introduce BudgetMem, a training-free architecture that keeps only high-salience content under an explicit memory budget. Unlike token-level neural compressors such as LLMLingua, BudgetMem makes chunk-level keep-or-discard decisions from interpretable features: entity density, TF-IDF importance, position, numerical density, discourse markers, and question presence. Across four benchmarks, BudgetMem matches the uncompressed baseline on template-generated structured documents (F1 = 0.859 vs. 0.855) while discarding 70% of chunks. As a pre-retrieval filter on the same documents it outperforms LLMLingua-2 by a wide margin (0.859 vs. 0.554), because token-level compression destroys the phrasal structure that retrieval depends on; the advantage holds across model scale and family (Llama-3.2-3B, Qwen2.5-7B), under dense retrieval (0.918 vs. 0.530), and in LLMLingua-2's intended direct-feed mode (0.797 vs. 0.720). On real NLP research papers (Qasper), BudgetMem is competitive but not free, trailing the full baseline by 7.4% and LLMLingua-2 by 5.5% relative F1 at a 72% storage reduction. Removing discourse markers or numerical density hurts most, although TF-IDF alone scores as well on template documents. The pipeline needs no trained models or GPU for compression and runs on a $10/month Colab instance.
Chandra Vamsi Krishna Alla, Harish Naidu Gaddam, Manohar Kommi +1
Nov 4, 2025cs.AI

Chronic Kidney Disease Prognosis Prediction Using Transformer

Chronic Kidney Disease (CKD) affects nearly 10% of the global population and often progresses to end-stage renal failure. Accurate prognosis prediction is vital for timely interventions and resource optimization. We present a transformer-based framework for predicting CKD progression using multi-modal electronic health records (EHR) from the Seoul National University Hospital OMOP Common Data Model. Our approach (\textbf{ProQ-BERT}) integrates demographic, clinical, and laboratory data, employing quantization-based tokenization for continuous lab values and attention mechanisms for interpretability. The model was pretrained with masked language modeling and fine-tuned for binary classification tasks predicting progression from stage 3a to stage 5 across varying follow-up and assessment periods. Evaluated on a cohort of 91,816 patients, our model consistently outperformed CEHR-BERT, achieving ROC-AUC up to 0.995 and PR-AUC up to 0.989 for short-term prediction. These results highlight the effectiveness of transformer architectures and temporal design choices in clinical prognosis modeling, offering a promising direction for personalized CKD care.
Yohan Lee, Dong Gyun Kang, SeHoon Park +2
Nov 3, 2025cs.LG

The Optimization Landscape of Carathéodory Decomposition of Toeplitz Covariances

Toeplitz covariance estimation is a classical problem in statistical signal processing, yet the geometry of the Gaussian maximum-likelihood objective remains only partially understood. Recent algorithms, including Newton-type, majorization-minimization, and gradient-based methods, indicate that the nonconvex problem can often be globally solved when the number of samples is sufficiently large, but they also reveal a difficult computational landscape. In this work, we study this phenomenon through an overparameterized Caratheodory representation of positive definite Toeplitz covariance matrices. The Caratheodory decomposition parameterizes the covariance using a combination of steering vectors with different frequencies and amplitudes. Our first result shows that fixed-grid amplitude optimization is fundamentally insufficient. Even in the population setting, and even with arbitrarily many fixed frequency grid points, amplitude-only optimization can have a strictly positive error floor under grid mismatch. This motivates optimizing both amplitudes and frequencies. In this case, our main theoretical result proves that the joint optimization has a benign population landscape: every stationary point that produces a positive definite covariance matrix recovers the true Toeplitz covariance. These findings suggest a simple interpretation of the Toeplitz covariance problem: the population landscape is globally benign, but may be highly ill-conditioned. In our numerical experiments, overparameterization improves convergence speed and finite-sample accuracy. In particular, it allows simple gradient descent to approach the Cramer Rao bound while keeping the implementation simple.
Daniel Busbib, Ami Wiesel
Nov 3, 2025cs.RO

AERMANI-VLM: Structured Prompting and Reasoning for Aerial Manipulation with Vision Language Models

The rapid progress of vision--language models (VLMs) has sparked growing interest in robotic control, where natural language can express the operation goals while visual feedback links perception to action. However, directly deploying VLM-driven policies on aerial manipulators remains unsafe and unreliable since the generated actions are often inconsistent, hallucination-prone, and dynamically infeasible for flight. In this work, we present AERMANI-VLM, the first framework to adapt pretrained VLMs for aerial manipulation by separating high-level reasoning from low-level control, without any task-specific fine-tuning. Our framework encodes natural language instructions, task context, and safety constraints into a structured prompt that guides the model to generate a step-by-step reasoning trace in natural language. This reasoning output is used to select from a predefined library of discrete, flight-safe skills, ensuring interpretable and temporally consistent execution. By decoupling symbolic reasoning from physical action, AERMANI-VLM mitigates hallucinated commands and prevents unsafe behavior, enabling robust task completion. We validate the framework in both simulation and hardware on diverse multi-step pick-and-place tasks, demonstrating strong generalization to previously unseen commands, objects, and environments.
Sarthak Mishra, Rishabh Dev Yadav, Avirup Das +3
Nov 1, 2025cs.AI

PreferThinker: Reasoning-based Personalized Image Preference Assessment

Personalized image preference assessment aims to evaluate an individual user's image preferences by relying only on a small set of reference images as prior information. Existing methods mainly focus on general preference assessment, training models with large-scale data to tackle well-defined tasks such as text-image alignment. However, these approaches struggle to handle personalized preference because user-specific data are scarce and not easily scalable, and individual tastes are often diverse and complex. To overcome these challenges, we introduce a common preference profile that serves as a bridge across users, allowing large-scale user data to be leveraged for training profile prediction and capturing complex personalized preferences. Building on this idea, we propose a reasoning-based personalized image preference assessment framework that follows a \textit{predict-then-assess} paradigm: it first predicts a user's preference profile from reference images, and then provides interpretable, multi-dimensional scores and assessments of candidate images based on the predicted profile. To support this, we first construct a large-scale Chain-of-Thought (CoT)-style personalized assessment dataset annotated with diverse user preference profiles and high-quality CoT-style reasoning, enabling explicit supervision of structured reasoning. Next, we adopt a two-stage training strategy: a cold-start supervised fine-tuning phase to empower the model with structured reasoning capabilities, followed by reinforcement learning to incentivize the model to explore more reasonable assessment paths and enhance generalization. Furthermore, we propose a similarity-aware prediction reward to encourage better prediction of the user's preference profile, which facilitates more reasonable assessments exploration. Extensive experiments demonstrate the superiority of the proposed method.
Shengqi Xu, Xinpeng Zhou, Yabo Zhang +6