arXiv:2602.07083v1 Announce Type: new Abstract: Structural modeling is a fundamental component of computational engineering science, in which even minor physical inconsistencies or specification violations may invalidate downstream simulations. The potential of large language models (LLMs) for automatic generation of modeling code has been demonstrated. However, non-executable or physically inconsistent outputs remain prevalent under stringent engineering constraints. A framework for physics-consistent automatic building modeling is therefore proposed, integrating domain knowledge construction, constraint-oriented model alignment, and verification-driven evaluation. CivilInstruct is […]

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arXiv:2603.12397v1 Announce Type: new Abstract: Chain-of-Thought (CoT) is often viewed as a window into LLM decision-making, yet recent work suggests it may function merely as post-hoc rationalization. This raises a critical alignment question: Does the reasoning trace causally shape model generalization independent of the final answer? To isolate reasoning’s causal effect, we design a controlled experiment holding final harmful answers constant while varying reasoning paths. We construct datasets with textit{Evil} reasoning embracing malice, textit{Misleading} reasoning rationalizing harm, and […]

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arXiv:2602.21133v1 Announce Type: cross Abstract: Vector-quantized representations enable powerful discrete generative models but lack semantic structure in token space, limiting interpretable human control. We introduce SOM-VQ, a tokenization method that combines vector quantization with Self-Organizing Maps to learn discrete codebooks with explicit low-dimensional topology. Unlike standard VQ-VAE, SOM-VQ uses topology-aware updates that preserve neighborhood structure: nearby tokens on a learned grid correspond to semantically similar states, enabling direct geometric manipulation of the latent space. We demonstrate that SOM-VQ […]

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arXiv:2601.09693v2 Announce Type: replace-cross Abstract: Structure-based and ligand-based computational drug design have traditionally relied on disjoint data sources and modeling assumptions, limiting their joint use at scale. In this work, we introduce Contrastive Geometric Learning for Unified Computational Drug Design (ConGLUDe), a single contrastive geometric model that unifies structure- and ligand-based training. ConGLUDe couples a geometric protein encoder that produces whole-protein representations and implicit embeddings of predicted binding sites with a fast ligand encoder, removing the need for […]

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arXiv:2603.23667v1 Announce Type: new Abstract: We introduce Echoes, a new dataset for music deepfake detection designed for training and benchmarking detectors under realistic and provider-diverse conditions. Echoes comprises 3,577 tracks (110 hours of audio) spanning multiple genres (pop, rock, electronic), and includes content generated by ten popular AI music generation systems. To prevent shortcut learning and promote robust generalization, the dataset is deliberately constructed to be challenging, enforcing semantic-level alignment between spoofed audio and bona fide references. This […]

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Accurate prediction of enzyme kinetic parameters is essential for understanding catalytic mechanisms and guiding enzyme engineering.However, existing deep learning-based enzyme-substrate interaction (ESI) predictors often exhibit performance degradation on sequence-divergent, out-of-distribution (OOD) cases, limiting robustness under biologically relevant perturbations.We propose O$^2$DENet, a lightweight, plug-and-play module that enhances OOD generalization via biologically and chemically informed perturbation augmentation and invariant representation learning.O$^2$DENet introduces enzyme-substrate perturbations and enforces consistency between original and augmented enzyme-substrate-pair representations to encourage invariance to distributional shifts.When integrated […]

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