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4,920 papers

#machine learning Preprint Open access Sep 2026

Topological Steering

With the rapid rise of large language models (LLMs), controlling undesirable model behaviors has become increasingly important. Existing behavioral control methods typically intervene directly in activation or feature space, but such approaches can be sensitive to outliers, distributional shifts, noise, and other local perturbations. Motivated by Topological Data Analysis (TDA), which captures global rather than purely local structure, we propose Topological Steering, a new framework for steering LLM behavior through the topological representation of activation spaces. Using persistence diagrams, our method connects activation-based steering with TDA and enables more robust behavioral control. We show that Topological Steering consistently modifies LLM behavior across multiple model families and model sizes.

Beno\^it Gu\'erand, Tan Minh Nguyen · 0 citations
#machine learning Preprint Sep 2026

CRAFT: Fine-Tuning Pre-hoc Explainability in AI-native 6G RAN

The next generation of mobile networks is envisioned as fully AI-native, with AI-RAN architectures embedding small language models (SLMs) to perform reasoning over real-time telemetry. The state-of-the-art training paradigms for telecom LLMs, exemplified by RANSTRUCT-style supervised fine-tuning (SFT) on curated instruction data, are limited to post hoc rationalization. Here, the explanations, when produced at all, are generated after or independently of the decision, leaving the decision process unauditable. Pre-hoc reasoning, where a causal reasoning trace is produced before the output label, is preferable, and the broader LLM reasoning literature has made real progress toward it via RL methods such as Group Relative Policy Optimization (GRPO). Here we observe that transplanting this recipe into the telecom setting runs into a cold-start barrier: SLMs either learn to output the desired format or learn to predict the label, but rarely both. We identify this barrier and propose CRAFT, which stands for Cold-start Reasoning Alignment via Fine-Tuning, a data-centric method to autonomously generate a verified dataset of (input, trace, label) triplets. CRAFT fine-tunes SLMs on this verified data using low-rank adaptation (LoRA), requiring substantially less compute and wall-clock time than GRPO-based methods. On the TRACTOR and IC xApp telecom datasets, CRAFT achieves up to 86.5% and 94.6% for accuracy and F1 with no parse failures, while direct GRPO and SFT+GRPO fail to exceed 28% and 53.5% F1 with multiple parse failures. We further show that CRAFT-initialized policies serve as a robust foundation for subsequent GRPO fine-tuning, as under diverse reward functions the performance remains consistent with no parse failures. Finally, we demonstrate that CRAFT consumes 59% less energy than GRPO-based baselines, making it a sustainable path to deployable, auditable AI in 6G RAN.

Pranshav Gajjar, V. K. Shah · 0 citations
#machine learning Preprint Sep 2026

Manifold-Aware General Coded Computing for Straggler-Resilient Distributed Computing

Existing coded-computing designs do not explicitly exploit the intrinsic structure of the input data. In communication systems, statistical structure and redundancy are often removed through source coding (or compression) before channel coding is applied. This principle, however, does not transfer directly to coded computation. In many computational tasks, particularly in machine learning, the structure of the data is precisely what the computation seeks to exploit to infer outputs or learn meaningful patterns. Consequently, coded-computing schemes should preserve and leverage this structure in their code design, rather than ignoring or eliminating it through source coding. This observation motivates a different perspective on code construction. In many channel-coding schemes, such as Reed-Solomon codes, coded symbols are generated by evaluating a low-dimensional algebraic representation at selected points. In contrast, many high-dimensional datasets naturally concentrate near low-dimensional manifolds. In this paper, we exploit this intrinsic geometry by designing coded samples that follow the natural manifold of the data, rather than imposing an artificial low-dimensional structure unrelated to the data distribution. Inspired by graph-based manifold learning, we propose a manifold-aware encoding strategy for general coded computing (GCC). Experiments on neural network inference and high-dimensional polynomial evaluation demonstrate that the proposed strategy consistently and significantly reduces the mean squared recovery error under straggling compared with standard GCC.

Parsa Moradi, M. Maddah-ali · 0 citations
#machine learning Preprint Sep 2026

GenONet: A Generative operator Network for High-Resolution Precipitation Nowcasting

High-resolution precipitation nowcasting is critical for reducing the impacts of severe weather but remains difficult because of rapid storm evolution. Deep learning models have shown great promise for this task, but their predictive skill often deteriorates over longer forecast horizons. This leads to increasingly blurry forecasts that fail to capture the complex, non-linear evolution of storm systems. In order to address these limitations, we introduce Spatio-Temporal U-DeepONet (GenONet), a novel architecture for long-range precipitation forecasting up to 3 hours, specifically designed to produce sharp and physically consistent results. GenONet's architecture pioneers the use of a Deep Operator Network (DeepONet) as a generator within a Generative Adversarial Network (GAN) framework for this task. The DeepONet learns the continuous-time dynamics of precipitation, ensuring stability over long forecast horizons. Adversial training against a spatio-temporal discriminator compels the model to produce sharp, coherent forecasts, while a physics-informed loss regularizer, derived from the Moisture Conservation Equation, improves physical plausibility in our ablation setting. Quantitative evaluations show that our model achieves consistently higher scores on most of the metrics, especially for highintensity events and at longer lead times. Qualitatively, GenONet produces structurally coherent forecasts that maintain their integrity, whereas baseline models degrade into indistinct patterns. Finally, an ablation study confirms the benefit of this physics-informed loss, highlighting the strength of combining operator learning with adversarial training.

Mohammad Kian Golkar, Luciano Alves de Oliveira, Mohammad Khanjani · 0 citations
#machine learning Preprint Sep 2026

DeSyR: A Decoupled Symbolic Recovery Framework with PINN-Guided Structure Search and Physics-Informed Coefficient Refinement

Recovering compact explicit solutions from neural approximations is challenging when imperfect teacher data guide symbolic topology search and coefficient estimation. We present DeSyR, a decoupled symbolic recovery framework for differential equations. A physics-informed neural network guides repeated searches to construct candidate topologies with provisional constants. Once a topology is fixed, its coefficients are refined solely from the governing equation and prescribed constraints, followed by gated selection and verification. For linear fixed-topology parameterizations, we characterize teacher-error inheritance and show that finite-weight mixed data--physics fitting retains an $O(\beta^{-1})$ teacher-dependent contribution when the teacher error projects onto the model space. Under well-posedness, representability, zero-residual attainment, and discrete determinacy, physics-only refinement conditionally recovers exact coefficients; for nonlinear parameterizations, the corresponding guarantees are local. DeSyR is evaluated on 15 differential-equation problems across 18 configurations covering high-order, space--time, multidimensional, nonlinear, and coupled systems. A candidate-level audit yields a 99.23% convergence rate among free-parameter refits, while every selected refinement involving free coefficients converges. Configuration-level median refined relative $L_2$ errors are $2.31\times10^{-14}$ or lower. In same-topology comparisons, refinement reduces error by eight to fourteen orders of magnitude. These results show that an approximate neural teacher can guide topology discovery without imposing its error scale on final recovered coefficients, provided a target-capable topology is retained and physics-only refinement converges.

Pan-Cheng Niu, Jun Guo, Qiao-Lin He et al. · 0 citations
#machine learning Preprint Sep 2026

Why Multi-Layer Message Passing Works: Completeness Theory for Graph Neural Network Interatomic Potentials

We prove that the Hypergraph Neural Network, an invariant architecture with 3-body message passing, is a universal approximator for potential energy surfaces. Our main contribution is a multi-layer completeness theory. We show that $L$ layers of message passing on sparse, cutoff-based graphs achieve the same representational power as having access to the full $L$-hop neighborhood, provided the configurations are generic, satisfy an overlap condition and a connectivity condition. This provides the first rigorous justification for the common practice of using multi-layer message passing with a per-layer cutoff smaller than the physical interaction range, the setting used by virtually all practical graph neural network based machine-learned interatomic potentials. As immediate consequences, we show that both DPA3 and CHGNet architectures inherit universal approximation.

Pingbing Ming, Han-Dong Wang · 0 citations
#machine learning Preprint Open access Sep 2026

Learning Task-Specific Antibody Representations via Function-Aware Masking

Antibody-specific language models pretrained via masked language modeling (MLM) learn representations that are critical for downstream sequence design and property prediction tasks. Yet, the corruption process itself is rarely leveraged as a source of inductive bias during pretraining. While preferentially masking complementarity-determining regions (CDRs) improves binding-related predictions, antibodies possess diverse biological priors over a variety of functions. Herein, we introduce function-aware masking, a family of pretraining algorithms that align mask placement with specific functional priors (e.g., from IMGT annotations or structure predictions) to shape the learned representation space. We show that these specialist masking strategies significantly improve performance on their respective objectives, yielding up to a 14% gain on structure-related tasks and up to a 5.9x improvement on CDR-related tasks. To further improve performance across multiple functional axes, we develop hybrid masking strategies that integrate multiple priors, balancing reconstruction over binding, structural, and biophysical objectives. Our results demonstrate that informed mask placement provides a parameter-free mechanism for imposing functional inductive biases in antibody language model training.

Ayan Goel, Thomas A. Walton, Amirali Aghazadeh · 0 citations
#machine learning Preprint Open access Sep 2026

VATO: A Vortex-Force-Aware Transformer Operator for Unsteady Separated Aerofoil Flows

Accurate prediction of unsteady separated flows is challenging because the aerodynamic loads depend on nonlinear separation and vortex-shedding dynamics. Although high-fidelity CFD resolves these mechanisms, its cost limits repeated use in design and control. Standard field-level surrogate training, however, does not distinguish the flow regions that contribute most strongly to the aerodynamic loads. We introduce VATO (Vortex-Force-Aware Transformer Operator), which couples the Vortex Force Map (VFM) method to a geometry-aware neural operator through two complementary mechanisms. VATO-S adds training-only supervision of the local VFM force-contribution field, with no increase in model size or inference cost. VATO-A uses VFM contribution and sensitivity fields to prioritise force-relevant source locations for residual cross attention. The methods are evaluated on unsteady CFD data for double-edged-plate aerofoils over 54 trajectories from nine geometries. Over lead times of 1-20~ms, VATO-S reduces velocity, pressure, and vorticity errors by 10.4\%, 1.0\%, and 15.6\%, respectively, while VATO-A achieves reductions of 15.8\%, 7.5\%, and 31.2\%. VATO-S gives the lowest VFM-derived drag error, whereas VATO-A gives the lowest pressure-derived lift and drag errors. Over lead times extending 50\% beyond the training range, VATO-A retains a 26.9\% reduction in vorticity error and larger improvements in all four force readouts, despite reduced gains in velocity and pressure. These results show that force-aware operator learning can improve both flow-field prediction and aerodynamic functional accuracy in unsteady separated flows.

Xingxin Yang, Zhan Zhang, Yichen Li et al. · 0 citations
#machine learning Preprint Open access Sep 2026

A hybrid quantum-classical neural network for learning to route

This work studies hybrid quantum-classical neural networks for learning routing heuristics. Specifically, this paper asks whether small quantum neural networks can replace parameter-heavy modules inside a competitive attention-based routing model while maintaining solution quality. For the capacitated vehicle routing problem, encoder feed-forward replacement emerges as the most promising design: it reduces the number of model parameters by 56.6% while keeping the hybrid model close to the classical neural baseline at small and medium instance sizes, although the gap grows for larger instances. This work also compares to classical routing algorithms, which remain highly competitive and often superior on the fixed Euclidean test sets. Our results therefore do not indicate quantum advantage or solver dominance, but identify encoder feed-forward replacement as a viable hybrid-module compression strategy for neural combinatorial optimization.

Marcus Rolf Peter Ritt, Alexsandro Santos da Rosa J\'unior, Marcos Vinicius Reballo et al. · 0 citations
#machine learning Preprint Aug 2026

AdaptNTK: Adaptive Uncertainty Quantification and Active Learning for Neural Network Potentials

Machine learning interatomic potentials bridge the gap between quantum chemical precision and classical computational speed, enabling molecular dynamics simulations with first-principles accuracy. Their reliability is often improved through active learning, which iteratively expands the training set by identifying uncertain, out-of-distribution configurations. Existing uncertainty-quantification methods often involve a trade-off between computational cost and reliability, and generally cannot account for redundancy as an acquisition batch is assembled. Here, we introduce AdaptNTK, a single-model framework that measures uncertainty as a regularized Mahalanobis distance in empirical neural tangent kernel (NTK) feature space. With the NTK features fixed during acquisition, the uncertainty depends on the acquired configurations but not their reference labels. This allows the uncertainty to be updated recursively after each selection without retraining, reducing redundancy within an acquisition batch. On held-out rMD17 data, AdaptNTK achieves the highest mean correlations with force errors (Spearman 0.68, Pearson 0.71) and matches a three-member ensemble in error retention. In active learning experiments, AdaptNTK achieves the lowest force errors across rMD17 and Transition-1X, with particularly strong performance on transition-state configurations in Transition-1X. AdaptNTK provides a 2.6-fold speedup per Transition-1X cycle relative to the ensemble, providing efficient single-model uncertainty estimation with sequential updates for data-efficient active learning.

Prajwal Ananth, Shuwen Yue · 0 citations
#machine learning Preprint Open access Sep 2026

Context Window Failures in Relational Foundation Models

Recent Relational Deep Learning architectures have been proposed as foundation models for multi-table relational data, yet they impose constrained neighborhood budgets that force row truncation when an entity has many related records. We introduce Animus, a synthetic financial dataset in which predicting customer income requires aggregating up to tens of thousands of transactions. On the raw representation, three recently proposed models (RT, Griffin, RelGT) achieve $R^2 \le 0.18$; a single, routine, temporal pre-aggregation step recovers $R^2$ up to $0.65$. This questions whether current relational foundation models are ready for high-cardinality real-world data.

Denis Oliveira Correa, Francisco Galuppo Azevedo · 0 citations
#machine learning Preprint Aug 2026

Can LLMs Use Relational Transformer Embeddings?

Injecting frozen relational-encoder embeddings as soft tokens into a large language model (LLM) is a conceptually appealing fusion strategy: the encoder handles multi-table structure, the LLM handles language and reasoning, and no lossy text serialization is required. We test this hypothesis concretely by injecting embeddings from a frozen Relational Transformer (RT) into Qwen3.5-4B via a learned MLP projection and LoRA adaptation, trained first with supervised fine-tuning (SFT) on chain-of-thought reasoning traces and then with group-based reinforcement learning (GSPO). We evaluate across 10 binary classification tasks on 6 relational databases from RelBench, under four supervision regimes: single-task (ST), within-dataset (WD), cross-dataset (CD), and all-task (ALL). The hybrid model does not consistently outperform standalone RT: it is frequently below random, highly sensitive to serialization format and relational-token budget, and unstable under RL training. We report these negative results and analyze the failure modes, arguing that soft-token fusion requires stronger alignment objectives and schema-aware design before it can serve as a reliable route to relational prediction.

Francisco Galuppo Azevedo, Clarissa Lima Loures · 0 citations

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GPT-Lab Sep 3, 2026

Adaptive AI Agents in Construction Workflows

Adaptive AI agents can help make BIM data more machine-readable by navigating IFC models, interpreting inconsistent information, and mapping it to defined standards. In this blog, Alok Rawat shares findings from a real-world pilot in construction workflows. The post Adaptive AI Agents in Construction Workflows appeared first on GPT-Lab.

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