arXiv subjects

Jiatong Li

Publications and source records attributed to Jiatong Li.

At least 37 records · Page 2Linked to original sources

arXiv2026

MolViBench: Evaluating LLMs on Molecular Vibe Coding

Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents with predefined tools, enabling chemists to express arbitrarily complex, customized workflows. Unlike general coding tasks, molecular coding imposes a distinctive challenge that LLMs should jointly equip programming, molecular understanding, and domain-specific reasoning capabilities. However, existing benchmarks remain disconnected. General code generation benchmarks such as HumanEval and SWE-bench require no chemistry knowledge, while chemistry-focused benchmarks such as S^2-Bench and ChemCoTBench evaluate knowledge recall or property prediction rather than executable code generation. To bridge this gap, we introduce MolViBench, the first benchmark tailored for Molecular Vibe Coding. MolViBench comprises 358 curated tasks across five cognitive levels, ranging from single-API recall to end-to-end virtual screening pipeline design, spanning 12 real-world drug discovery workflows. To rigorously assess generated code, we also propose a multi-layered evaluation framework that combines type-aware output comparison and AST-based API-semantic fallback analysis, which jointly measures executability and chemical correctness. We systematically evaluate 9 frontier coding LLMs and compare three real-world Molecular Vibe Coding paradigms, providing a practical and fine-grained testbed for diagnosing LLMs' coding capabilities in AI-accelerated molecular discovery.

cs.CL↗

arXiv2026

Scaling Reasoning Hop Exposes Weaknesses: Demystifying and Improving Hop Generalization in Large Language Models

Chain-of-thought (CoT) reasoning has become the standard paradigm for enabling Large Language Models (LLMs) to solve complex problems. However, recent studies reveal a sharp performance drop in reasoning hop generalization scenarios, where the required number of reasoning steps exceeds training distributions while the underlying algorithm remains unchanged. The internal mechanisms driving this failure remain poorly understood. In this work, we conduct a systematic study on tasks from multiple domains, and find that errors concentrate at token positions of a few critical error types, rather than being uniformly distributed. Closer inspection reveals that these token-level erroneous predictions stem from internal competition mechanisms: certain attention heads, termed erroneous processing heads (ep heads), tip the balance by amplifying incorrect reasoning trajectories while suppressing correct ones. Notably, removing individual ep heads during inference can often restore the correct predictions. Motivated by these insights, we propose test-time correction of reasoning, a lightweight intervention method that dynamically identifies and deactivates ep heads in the reasoning process. Extensive experiments across different tasks and LLMs show that it consistently improves reasoning hop generalization, highlighting both its effectiveness and potential.

cs.CL↗

arXiv2026

MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts

Molecule discovery is a pivotal research field, impacting everything from medicine to materials. Recently, Large Language Models (LLMs) have been widely adopted in molecular understanding and generation, serving as a bridge between the molecular space and the natural language space, yet the alignment between molecules and their corresponding captions remains a significant challenge. Previous endeavors typically treat molecules as monolithic inputs, lacking an intermediate reasoning process and sacrificing explainability. In this work, we define fine-grained alignments as the precise correspondence between a molecule's sub-structures and the textual phrases that explain their properties. These alignments are crucial for LLMs to understand molecules in a more accurate and explainable manner. Normally, such fine-grained alignments require expert annotation, which is both costly and time-consuming. To allow LLMs to automatically label and learn the fine-grained alignments, we propose MolReFlect, a novel teacher-student framework, where a teacher LLM first generates and refines mappings between caption phrases and SMILES substructures and then explicitly teaches these detailed alignments to a student LLM. Experimental results demonstrate that MolReFlect enables LLMs to significantly outperform previous baselines, achieving the state-of-the-art performance in the molecule-caption translation task. Our codes are available via: https://github.com/phenixace/MolReFlect.

cs.CL↗

arXiv2026

Logic Jailbreak: Efficiently Unlocking LLM Safety Restrictions Through Formal Logical Expression

Despite substantial advancements in aligning large language models (LLMs) with human values, current safety mechanisms remain susceptible to jailbreak attacks. We hypothesize that this vulnerability stems from distributional discrepancies between alignment-oriented prompts and malicious prompts. To investigate this, we introduce LogiBreak, a novel and universal black-box jailbreak method that leverages logical expression translation to circumvent LLM safety systems. By converting harmful natural language prompts into formal logical expressions, LogiBreak exploits the distributional gap between alignment data and logic-based inputs, preserving the underlying semantic intent and readability while evading safety constraints. We evaluate LogiBreak on a multilingual jailbreak dataset spanning three languages, demonstrating its effectiveness across various evaluation settings and linguistic contexts.

cs.CL↗

arXiv2026

The First Challenge on Remote Sensing Infrared Image Super-Resolution at NTIRE 2026: Benchmark Results and Method Overview

This paper presents the NTIRE 2026 Remote Sensing Infrared Image Super-Resolution (x4) Challenge, one of the associated challenges of NTIRE 2026. The challenge aims to recover high-resolution (HR) infrared images from low-resolution (LR) inputs generated through bicubic downsampling with a x4 scaling factor. The objective is to develop effective models or solutions that achieve state-of-the-art performance for infrared image SR in remote sensing scenarios. To reflect the characteristics of infrared data and practical application needs, the challenge adopts a single-track setting. A total of 115 participants registered for the competition, with 13 teams submitting valid entries. This report summarizes the challenge design, dataset, evaluation protocol, main results, and the representative methods of each team. The challenge serves as a benchmark to advance research in infrared image super-resolution and promote the development of effective solutions for real-world remote sensing applications.

cs.CV↗

arXiv2026

Uncertainty Quantification in LLM Agents: Foundations, Emerging Challenges, and Opportunities

Uncertainty quantification (UQ) for large language models (LLMs) is a key building block for safety guardrails of daily LLM applications. Yet, even as LLM agents are increasingly deployed in highly complex tasks, most UQ research still centers on single-turn question-answering. We argue that UQ research must shift to realistic settings with interactive agents, and that a new principled framework for agent UQ is needed. This paper presents three pillars to build a solid ground for future agent UQ research: (1. Foundations) We present the first general formulation of agent UQ that subsumes broad classes of existing UQ setups; (2. Challenges) We identify four technical challenges specifically tied to agentic setups -- selection of uncertainty estimator, uncertainty of heterogeneous entities, modeling uncertainty dynamics in interactive systems, and lack of fine-grained benchmarks -- with numerical analysis on a real-world agent benchmark, $τ^2$-bench; (3. Future Directions) We conclude with noting on the practical implications of agent UQ and remaining open problems as forward-looking discussion for future explorations.

cs.AI↗

arXiv2026

The First Challenge on Mobile Real-World Image Super-Resolution at NTIRE 2026: Benchmark Results and Method Overview

This paper provides a review of the NTIRE 2026 challenge on mobile real-world image super-resolution, highlighting the proposed solutions and the resulting outcomes. The challenge aims to recover high-resolution (HR) images from low-resolution (LR) counterparts generated through unknown degradations with a x4 scaling factor while ensuring the models remain executable on mobile devices. The objective is to develop effective and efficient network designs or solutions that achieve state-of-the-art real-world image super-resolution performance. The track of the challenge evaluates performance using a weighted combination of image quality assessment (IQA) score and speedup ratios. The competition attracted 108 registrants, with 16 teams achieving a valid score in the final ranking. This collaborative effort advances the performance of mobile real-world image super-resolution while offering an in-depth overview of the latest trends in the field.

cs.CV↗

arXiv2026

HiFi-Inpaint: Towards High-Fidelity Reference-Based Inpainting for Generating Detail-Preserving Human-Product Images

Human-product images, which showcase the integration of humans and products, play a vital role in advertising, e-commerce, and digital marketing. The essential challenge of generating such images lies in ensuring the high-fidelity preservation of product details. Among existing paradigms, reference-based inpainting offers a targeted solution by leveraging product reference images to guide the inpainting process. However, limitations remain in three key aspects: the lack of diverse large-scale training data, the struggle of current models to focus on product detail preservation, and the inability of coarse supervision for achieving precise guidance. To address these issues, we propose HiFi-Inpaint, a novel high-fidelity reference-based inpainting framework tailored for generating human-product images. HiFi-Inpaint introduces Shared Enhancement Attention (SEA) to refine fine-grained product features and Detail-Aware Loss (DAL) to enforce precise pixel-level supervision using high-frequency maps. Additionally, we construct a new dataset, HP-Image-40K, with samples curated from self-synthesis data and processed with automatic filtering. Experimental results show that HiFi-Inpaint achieves state-of-the-art performance, delivering detail-preserving human-product images.

cs.CV↗

arXiv2026

OmniShow: Unifying Multimodal Conditions for Human-Object Interaction Video Generation

In this work, we study Human-Object Interaction Video Generation (HOIVG), which aims to synthesize high-quality human-object interaction videos conditioned on text, reference images, audio, and pose. This task holds significant practical value for automating content creation in real-world applications, such as e-commerce demonstrations, short video production, and interactive entertainment. However, existing approaches fail to accommodate all these requisite conditions. We present OmniShow, an end-to-end framework tailored for this practical yet challenging task, capable of harmonizing multimodal conditions and delivering industry-grade performance. To overcome the trade-off between controllability and quality, we introduce Unified Channel-wise Conditioning for efficient image and pose injection, and Gated Local-Context Attention to ensure precise audio-visual synchronization. To effectively address data scarcity, we develop a Decoupled-Then-Joint Training strategy that leverages a multi-stage training process with model merging to efficiently harness heterogeneous sub-task datasets. Furthermore, to fill the evaluation gap in this field, we establish HOIVG-Bench, a dedicated and comprehensive benchmark for HOIVG. Extensive experiments demonstrate that OmniShow achieves overall state-of-the-art performance across various multimodal conditioning settings, setting a solid standard for the emerging HOIVG task.

cs.CV↗

arXiv2026

The Fourth Challenge on Image Super-Resolution ($\times$4) at NTIRE 2026: Benchmark Results and Method Overview

This paper presents the NTIRE 2026 image super-resolution ($\times$4) challenge, one of the associated competitions of the NTIRE 2026 Workshop at CVPR 2026. The challenge aims to reconstruct high-resolution (HR) images from low-resolution (LR) inputs generated through bicubic downsampling with a $\times$4 scaling factor. The objective is to develop effective super-resolution solutions and analyze recent advances in the field. To reflect the evolving objectives of image super-resolution, the challenge includes two tracks: (1) a restoration track, which emphasizes pixel-wise fidelity and ranks submissions based on PSNR; and (2) a perceptual track, which focuses on visual realism and evaluates results using a perceptual score. A total of 194 participants registered for the challenge, with 31 teams submitting valid entries. This report summarizes the challenge design, datasets, evaluation protocol, main results, and methods of participating teams. The challenge provides a unified benchmark and offers insights into current progress and future directions in image super-resolution.

cs.CV↗

arXiv2026

The Second Challenge on Real-World Face Restoration at NTIRE 2026: Methods and Results

This paper provides a review of the NTIRE 2026 challenge on real-world face restoration, highlighting the proposed solutions and the resulting outcomes. The challenge focuses on generating natural and realistic outputs while maintaining identity consistency. Its goal is to advance state-of-the-art solutions for perceptual quality and realism, without imposing constraints on computational resources or training data. Performance is evaluated using a weighted image quality assessment (IQA) score and employs the AdaFace model as an identity checker. The competition attracted 96 registrants, with 10 teams submitting valid models; ultimately, 9 teams achieved valid scores in the final ranking. This collaborative effort advances the performance of real-world face restoration while offering an in-depth overview of the latest trends in the field.

cs.CV↗

arXiv2026

IAG: Input-aware Backdoor Attack on VLM-based Visual Grounding

Recent advances in vision-language models (VLMs) have significantly enhanced the visual grounding task, which involves locating objects in an image based on natural language queries. Despite these advancements, the security of VLM-based grounding systems has not been thoroughly investigated. This paper reveals a novel and realistic vulnerability: the first multi-target backdoor attack on VLM-based visual grounding. Unlike prior attacks that rely on static triggers or fixed targets, we propose IAG, a method that dynamically generates input-aware, text-guided triggers conditioned on any specified target object description to execute the attack. This is achieved through a text-conditioned UNet that embeds imperceptible target semantic cues into visual inputs while preserving normal grounding performance on benign samples. We further develop a joint training objective that balances language capability with perceptual reconstruction to ensure imperceptibility, effectiveness, and stealth. Extensive experiments on multiple VLMs (e.g., LLaVA, InternVL, Ferret) and benchmarks (RefCOCO, RefCOCO+, RefCOCOg, Flickr30k Entities, and ShowUI) demonstrate that IAG achieves the best ASRs compared with other baselines on almost all settings without compromising clean accuracy, maintaining robustness against existing defenses, and exhibiting transferability across datasets and models. These findings underscore critical security risks in grounding-capable VLMs and highlight the need for further research on trustworthy multimodal understanding.

cs.CV↗

arXiv2026

Survey of Computerized Adaptive Testing: A Machine Learning Perspective

Computerized Adaptive Testing (CAT) offers an efficient and personalized method for assessing examinee proficiency by dynamically adjusting test questions based on individual performance. Compared to traditional, non-personalized testing methods, CAT requires fewer questions and provides more accurate assessments. As a result, CAT has been widely adopted across various fields, including education, healthcare, sports, sociology, and the evaluation of AI models. While traditional methods rely on psychometrics and statistics, the increasing complexity of large-scale testing has spurred the integration of machine learning techniques. This paper aims to provide a machine learning-focused survey on CAT, presenting a fresh perspective on this adaptive testing paradigm. We delve into measurement models, question selection algorithm, bank construction, and test control within CAT, exploring how machine learning can optimize these components. Through an analysis of current methods, strengths, limitations, and challenges, we strive to develop robust, fair, and efficient CAT systems. By bridging psychometric-driven CAT research with machine learning, this survey advocates for a more inclusive and interdisciplinary approach to the future of adaptive testing.

cs.LG↗

arXiv2026

K-Sort Eval: Efficient Preference Evaluation for Visual Generation via Corrected VLM-as-a-Judge

The rapid development of visual generative models raises the need for more scalable and human-aligned evaluation methods. While the crowdsourced Arena platforms offer human preference assessments by collecting human votes, they are costly and time-consuming, inherently limiting their scalability. Leveraging vision-language model (VLMs) as substitutes for manual judgments presents a promising solution. However, the inherent hallucinations and biases of VLMs hinder alignment with human preferences, thus compromising evaluation reliability. Additionally, the static evaluation approach lead to low efficiency. In this paper, we propose K-Sort Eval, a reliable and efficient VLM-based evaluation framework that integrates posterior correction and dynamic matching. Specifically, we curate a high-quality dataset from thousands of human votes in K-Sort Arena, with each instance containing the outputs and rankings of K models. When evaluating a new model, it undergoes (K+1)-wise free-for-all comparisons with existing models, and the VLM provide the rankings. To enhance alignment and reliability, we propose a posterior correction method, which adaptively corrects the posterior probability in Bayesian updating based on the consistency between the VLM prediction and human supervision. Moreover, we propose a dynamic matching strategy, which balances uncertainty and diversity to maximize the expected benefit of each comparison, thus ensuring more efficient evaluation. Extensive experiments show that K-Sort Eval delivers evaluation results consistent with K-Sort Arena, typically requiring fewer than 90 model runs, demonstrating both its efficiency and reliability.

cs.CV↗

arXiv2026

Investigation of Speech and Noise Latent Representations in Single-channel VAE-based Speech Enhancement

Recently, a variational autoencoder (VAE)-based single-channel speech enhancement system using Bayesian permutation training has been proposed, which uses two pretrained VAEs to obtain latent representations for speech and noise. Based on these pretrained VAEs, a noisy VAE learns to generate speech and noise latent representations from noisy speech for speech enhancement. Modifying the pretrained VAE loss terms affects the pretrained speech and noise latent representations. In this paper, we investigate how these different representations affect speech enhancement performance. Experiments on the DNS3, WSJ0-QUT, and VoiceBank-DEMAND datasets show that a latent space where speech and noise representations are clearly separated significantly improves performance over standard VAEs, which produce overlapping speech and noise representations.

eess.AS↗

arXiv2026

I-DCCRN-VAE: An Improved Deep Representation Learning Framework for Complex VAE-based Single-channel Speech Enhancement

Recently, a complex variational autoencoder (VAE)-based single-channel speech enhancement system based on the DCCRN architecture has been proposed. In this system, a noise suppression VAE (NSVAE) learns to extract clean speech representations from noisy speech using pretrained clean speech and noise VAEs with skip connections. In this paper, we improve DCCRN-VAE by incorporating three key modifications: 1) removing the skip connections in the pretrained VAEs to encourage more informative speech and noise latent representations; 2) using $β$-VAE in pretraining to better balance reconstruction and latent space regularization; and 3) a NSVAE generating both speech and noise latent representations. Experiments show that the proposed system achieves comparable performance as the DCCRN and DCCRN-VAE baselines on the matched DNS3 dataset but outperforms the baselines on mismatched datasets (WSJ0-QUT, Voicebank-DEMEND), demonstrating improved generalization ability. In addition, an ablation study shows that a similar performance can be achieved with classical fine-tuning instead of adversarial training, resulting in a simpler training pipeline.

eess.AS↗

arXiv2026

Are LLMs Stable Formal Logic Translators in Logical Reasoning Across Linguistically Diversified Texts?

Logical reasoning with large language models (LLMs) has received growing attention. One mainstream approach translates natural language into formal logic and then applies symbolic solvers for deduction. While effective in many tasks, these LLM-based translators often fail to generate consistent symbolic representations when the same concept appears in different linguistic forms. Such inconsistencies break logical coherence and lead to solver errors. However, most existing benchmarks lack this type of linguistic variation, which frequently occurs in real-world text, leaving the problem underexplored. To address this gap, we present SoLT, a benchmark that systematically rewrites reasoning datasets into diverse yet logically equivalent forms across multiple levels. Beyond evaluation, SoLT also provides a general method to enrich any dataset with linguistic diversity while preserving both meaning and logic. To further enhance the stability of LLM-based reasoning, we propose MenTaL, which explicitly guides models to build a concept-symbol mapping table during translation. By linking equivalent expressions to shared symbols, MenTaL maintains consistency and mitigates symbol drift. Experiments on SoLT demonstrate that LLMs indeed suffer from inconsistent symbol mapping under linguistic variation, leading to significant drops in reasoning accuracy. Meanwhile, applying MenTaL brings clear and stable performance improvements across diverse inputs. Overall, our findings reveal that overlooking linguistic diversity hides key weaknesses in LLM-based translators, and our work offers a step toward more reliable logical reasoning in varied real-world scenarios. Our code is available at https://github.com/wufeiwuwoshihua/LinguDiver.

cs.CL↗

arXiv2025

QuantFace: Efficient Quantization for Face Restoration

Diffusion models have been achieving remarkable performance in face restoration. However, the heavy computations hamper the widespread adoption of these models. In this work, we propose QuantFace, a novel low-bit quantization framework for face restoration models, where the full-precision (i.e., 32-bit) weights and activations are quantized to 4~6-bit. We first analyze the data distribution within activations and find that it is highly variant. To preserve the original data information, we employ rotation-scaling channel balancing. Furthermore, we propose Quantization-Distillation Low-Rank Adaptation (QD-LoRA), which jointly optimizes for quantization and distillation performance. Finally, we propose an adaptive bit-width allocation strategy. We formulate such a strategy as an integer programming problem that combines quantization error and perceptual metrics to find a satisfactory resource allocation. Extensive experiments on the synthetic and real-world datasets demonstrate the effectiveness of QuantFace under 6-bit and 4-bit. QuantFace achieves significant advantages over recent leading low-bit quantization methods for face restoration. The code is available at https://github.com/jiatongli2024/QuantFace.

cs.CV↗