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 Deep Learning


Edge-aware baselines for ogbn-proteins in PyTorch Geometric: species-wise normalization, post-hoc calibration, and cost-accuracy trade-offs

arXiv.org Artificial Intelligence

We present reproducible, edge-aware baselines for ogbn-proteins in PyTorch Geometric (PyG). We study two system choices that dominate practice: (i) how 8-dimensional edge evidence is aggregated into node inputs, and (ii) how edges are used inside message passing. Our strongest baseline is GraphSAGE with sum-based edge-to-node features. We compare LayerNorm (LN), BatchNorm (BN), and a species-aware Conditional LayerNorm (CLN), and report compute cost (time, VRAM, parameters) together with accuracy (ROC-AUC) and decision quality. In our primary experimental setup (hidden size 512, 3 layers, 3 seeds), sum consistently beats mean and max; BN attains the best AUC, while CLN matches the AUC frontier with better thresholded F1. Finally, post-hoc per-label temperature scaling plus per-label thresholds substantially improves micro-F1 and expected calibration error (ECE) with negligible AUC change, and light label-correlation smoothing yields small additional gains. We release standardized artifacts and scripts used for all of the runs presented in the paper.


Uncovering and Mitigating Transient Blindness in Multimodal Model Editing

arXiv.org Artificial Intelligence

Multimodal Model Editing (MMED) aims to correct erroneous knowledge in multimodal models. Existing evaluation methods, adapted from textual model editing, overstate success by relying on low-similarity or random inputs, obscure overfitting. We propose a comprehensive locality evaluation framework, covering three key dimensions: random-image locality, no-image locality, and consistent-image locality, op-erationalized through seven distinct data types, enabling a detailed and structured analysis of multimodal edits. We introduce De-VQA, a dynamic evaluation for visual question answering, uncovering a phenomenon we term transient blindness, overfitting to edit-similar text while ignoring visuals. Token analysis shows edits disproportionately affect textual tokens. We propose locality-aware adversarial losses to balance cross-modal representations. Empirical results demonstrate that our approach consistently outperforms existing baselines, reducing transient blindness and improving locality by 17% on average.


TokenSqueeze: Performance-Preserving Compression for Reasoning LLMs

arXiv.org Artificial Intelligence

Emerging reasoning LLMs such as OpenAI-o1 and DeepSeek-R1 have achieved strong performance on complex reasoning tasks by generating long chain-of-thought (CoT) traces. However, these long CoTs result in increased token usage, leading to higher inference latency and memory consumption. As a result, balancing accuracy and reasoning efficiency has become essential for deploying reasoning LLMs in practical applications. Existing long-to-short (Long2Short) methods aim to reduce inference length but often sacrifice accuracy, revealing a need for an approach that maintains performance while lowering token costs. To address this efficiency-accuracy tradeoff, we propose TokenSqueeze, a novel Long2Short method that condenses reasoning paths while preserving performance and relying exclusively on self-generated data. First, to prevent performance degradation caused by excessive compression of reasoning depth, we propose to select self-generated samples whose reasoning depth is adaptively matched to the complexity of the problem. To further optimize the linguistic expression without altering the underlying reasoning paths, we introduce a distribution-aligned linguistic refinement method that enhances the clarity and conciseness of the reasoning path while preserving its logical integrity. Comprehensive experimental results demonstrate the effectiveness of TokenSqueeze in reducing token usage while maintaining accuracy. Notably, DeepSeek-R1-Distill-Qwen-7B fine-tuned using our proposed method achieved a 50\% average token reduction while preserving accuracy on the MATH500 benchmark. TokenSqueeze exclusively utilizes the model's self-generated data, enabling efficient and high-fidelity reasoning without relying on manually curated short-answer datasets across diverse applications. Our code is available at https://github.com/zhangyx1122/TokenSqueeze.


ParaDySe: A Parallel-Strategy Switching Framework for Dynamic Sequence Lengths in Transformer

arXiv.org Artificial Intelligence

Dynamic sequences with varying lengths have been widely used in the training of Transformer-based large language models (LLMs). However, current training frameworks adopt a pre-defined static parallel strategy for these sequences, causing neither communication-parallelization cancellation on short sequences nor out-of-memory on long sequences. To mitigate these issues, we propose ParaDySe, a novel adaptive Parallel strategy switching framework for Dynamic Sequences. ParaDySe enables on-the-fly optimal strategy adoption according to the immediate input sequence. It first implements the modular function libraries for parallel strategies with unified tensor layout specifications, and then builds sequence-aware memory and time cost models with hybrid methods. Guided by cost models, ParaDySe selects optimal layer-wise strategies for dynamic sequences via an efficient heuristic algorithm. By integrating these techniques together, ParaDySe achieves seamless hot-switching of optimal strategies through its well-designed function libraries. We compare ParaDySe with baselines on representative LLMs under datasets with sequence lengths up to 624K. Experimental results indicate that ParaDySe addresses OOM and CPC bottlenecks in LLM training by systematically integrating long-sequence optimizations with existing frameworks.


Uncertainty-aware Physics-informed Neural Networks for Robust CARS-to-Raman Signal Reconstruction

arXiv.org Artificial Intelligence

Coherent anti-Stokes Raman scattering (CARS) spectroscopy is a powerful and rapid technique widely used in medicine, material science, and chemical analyses. However, its effectiveness is hindered by the presence of a non-resonant background that interferes with and distorts the true Raman signal. Deep learning methods have been employed to reconstruct the true Raman spectrum from measured CARS data using labeled datasets. A more recent development integrates the domain knowledge of Kramers-Kronig relationships and smoothness constraints in the form of physics-informed loss functions. However, these deterministic models lack the ability to quantify uncertainty, an essential feature for reliable deployment in high-stakes scientific and biomedical applications. In this work, we evaluate and compare various uncertainty quantification (UQ) techniques within the context of CARS-to-Raman signal reconstruction. Furthermore, we demonstrate that incorporating physics-informed constraints into these models improves their calibration, offering a promising path toward more trustworthy CARS data analysis.


Translation Entropy: A Statistical Framework for Evaluating Translation Systems

arXiv.org Artificial Intelligence

The translation of written language has been known since the 3rd century BC; however, its necessity has become increasingly common in the information age. Today, many translators exist, based on encoder-decoder deep architectures, nevertheless, no quantitative objective methods are available to assess their performance, likely because the entropy of even a single language remains unknown. This study presents a quantitative method for estimating translation entropy, with the following key finding. Given a translator, several sentences that differ by only one selected token of a given pivot sentence yield identical translations. Analyzing the statistics of this phenomenon across an ensemble of such sentences, consisting each of a pivot selected token, yields the probabilities of replacing this specific token with others while preserving the translation. These probabilities constitute the entropy of the selected token, and the average across all selected pivot tokens provides an estimate of the translator's overall translation entropy, which is enhanced along the decoder blocks. This entropic measure allows for the quantitative ranking of several publicly available translators and reveals whether mutual translation entropy is symmetric. Extending the proposed method to include the replacement of two tokens in a given pivot sentence demonstrates a multiplicative effect, where translation degeneracy is proportional to the product of the degeneracies of the two tokens. These findings establish translation entropy as a measurable property and objective benchmarking of artificial translators. Results are based on MarianMT, T5-Base and NLLB-200 translators.


Real-time distortion prediction in metallic additive manufacturing via a physics-informed neural operator approach

arXiv.org Artificial Intelligence

With the development of digital twins and smart manufacturing systems, there is an urgent need for real-time distortion field prediction to control defects in metal Additive Manufacturing (AM). However, numerical simulation methods suffer from high computational cost, long run-times that prevent real-time use, while conventional Machine learning (ML) models struggle to extract spatiotemporal features for long-horizon prediction and fail to decouple thermo-mechanical fields. This paper proposes a Physics-informed Neural Operator (PINO) to predict z and y-direction distortion for the future 15 s. Our method, Physics-informed Deep Operator Network-Recurrent Neural Network (PIDeepONet-RNN) employs trunk and branch network to process temperature history and encode distortion fields, respectively, enabling decoupling of thermo-mechanical responses. By incorporating the heat conduction equation as a soft constraint, the model ensures physical consistency and suppresses unphysical artifacts, thereby establishing a more physically consistent mapping between the thermal history and distortion. This is important because such a basis function, grounded in physical laws, provides a robust and interpretable foundation for predictions. The proposed models are trained and tested using datasets generated from experimentally validated Finite Element Method (FEM). Evaluation shows that the model achieves high accuracy, low error accumulation, time efficiency. The max absolute errors in the z and y-directions are as low as 0.9733 mm and 0.2049 mm, respectively. The error distribution shows high errors in the molten pool but low gradient norms in the deposited and key areas. The performance of PINO surrogate model highlights its potential for real-time long-horizon physics field prediction in controlling defects.


TCM-5CEval: Extended Deep Evaluation Benchmark for LLM's Comprehensive Clinical Research Competence in Traditional Chinese Medicine

arXiv.org Artificial Intelligence

Large language models (LLMs) have demonstrated exceptional capabilities in general domains, yet their application in highly specialized and culturally-rich fields like Traditional Chinese Medicine (TCM) requires rigorous and nuanced evaluation. Building upon prior foundational work such as TCM-3CEval, which highlighted systemic knowledge gaps and the importance of cultural-contextual alignment, we introduce TCM-5CEval, a more granular and comprehensive benchmark. TCM-5CEval is designed to assess LLMs across five critical dimensions: (1) Core Knowledge (TCM-Exam), (2) Classical Literacy (TCM-LitQA), (3) Clinical Decision-making (TCM-MRCD), (4) Chinese Materia Medica (TCM-CMM), and (5) Clinical Non-pharmacological Therapy (TCM-ClinNPT). We conducted a thorough evaluation of fifteen prominent LLMs, revealing significant performance disparities and identifying top-performing models like deepseek\_r1 and gemini\_2\_5\_pro. Our findings show that while models exhibit proficiency in recalling foundational knowledge, they struggle with the interpretative complexities of classical texts. Critically, permutation-based consistency testing reveals widespread fragilities in model inference. All evaluated models, including the highest-scoring ones, displayed a substantial performance degradation when faced with varied question option ordering, indicating a pervasive sensitivity to positional bias and a lack of robust understanding. TCM-5CEval not only provides a more detailed diagnostic tool for LLM capabilities in TCM but aldso exposes fundamental weaknesses in their reasoning stability. To promote further research and standardized comparison, TCM-5CEval has been uploaded to the Medbench platform, joining its predecessor in the "In-depth Challenge for Comprehensive TCM Abilities" special track.


SOMA: Feature Gradient Enhanced Affine-Flow Matching for SAR-Optical Registration

arXiv.org Artificial Intelligence

Achieving pixel-level registration between SAR and optical images remains a challenging task due to their fundamentally different imaging mechanisms and visual characteristics. Although deep learning has achieved great success in many cross-modal tasks, its performance on SAR-Optical registration tasks is still unsatisfactory. Gradient-based information has traditionally played a crucial role in handcrafted descriptors by highlighting structural differences. However, such gradient cues have not been effectively leveraged in deep learning frameworks for SAR-Optical image matching. To address this gap, we propose SOMA, a dense registration framework that integrates structural gradient priors into deep features and refines alignment through a hybrid matching strategy. Specifically, we introduce the Feature Gradient Enhancer (FGE), which embeds multi-scale, multi-directional gradient filters into the feature space using attention and reconstruction mechanisms to boost feature distinctiveness. Furthermore, we propose the Global-Local Affine-Flow Matcher (GLAM), which combines affine transformation and flow-based refinement within a coarse-to-fine architecture to ensure both structural consistency and local accuracy. Experimental results demonstrate that SOMA significantly improves registration precision, increasing the CMR@1px by 12.29% on the SEN1-2 dataset and 18.50% on the GFGE SO dataset. In addition, SOMA exhibits strong robustness and generalizes well across diverse scenes and resolutions.


Distinguishing Repetition Disfluency from Morphological Reduplication in Bangla ASR Transcripts: A Novel Corpus and Benchmarking Analysis

arXiv.org Artificial Intelligence

Automatic Speech Recognition (ASR) is now integral to digital interaction, driving applications from virtual assistants to automated subtitles on platforms like YouTube ( Dykes et al. 2023). Despite its wide adoption and significant advancements, ASR performance remains imperfect, particularly in Large Vocabulary Continuous Speech Recognition (L VCSR) and under real-world conditions like background noise or diverse accents ( Errattahi et al. 2018; Romana et al. 2024). This often results in a significant Word Error Rate (WER). A major, persistent source of error stems from speech disfluencies, which are interruptions in the smooth flow of speech, including filled pauses, hesitations, self-corrections, and most relevantly, repetitions ( Romana et al. 2024). Disfluencies are natural and frequent; one study found a 50% probability of a disfluency in a 10-13 word sentence ( Jamshid Lou and Johnson 2020b). Their presence creates noisy transcripts that are difficult to read and detrimental to downstream Natural Language Processing (NLP) tasks such as machine translation or information extraction ( Romana et al. 2024; Jamshid Lou and Johnson 2020a).