Abstract:Understanding sentiment in multimodal conversations is a complex yet crucial challenge toward building emotionally intelligent AI systems. The Multimodal Conversational Aspect-based Sentiment Analysis (MCABSA) Challenge invited participants to tackle two demanding subtasks: (1) extracting a comprehensive sentiment sextuple, including holder, target, aspect, opinion, sentiment, and rationale from multi-speaker dialogues, and (2) detecting sentiment flipping, which detects dynamic sentiment shifts and their underlying triggers. For Subtask-I, in the present paper, we designed a structured prompting pipeline that guided large language models (LLMs) to sequentially extract sentiment components with refined contextual understanding. For Subtask-II, we further leveraged the complementary strengths of three LLMs through ensembling to robustly identify sentiment transitions and their triggers. Our system achieved a 47.38% average score on Subtask-I and a 74.12% exact match F1 on Subtask-II, showing the effectiveness of step-wise refinement and ensemble strategies in rich, multimodal sentiment analysis tasks.




Abstract:Chain-of-Thought (CoT) prompting has significantly advanced task-solving capabilities in natural language processing with large language models. Unlike standard prompting, CoT encourages the model to generate intermediate reasoning steps, non-answer tokens, that help guide the model toward more accurate final outputs. These intermediate steps enable more complex reasoning processes such as error correction, memory management, future planning, and self-reflection. However, applying CoT to non-natural language domains, such as protein and RNA language models, is not yet possible, primarily due to the limited expressiveness of their token spaces (e.g., amino acid tokens). In this work, we propose and define the concept of language expressiveness: the ability of a given language, using its tokens and grammar, to encode information. We show that the limited expressiveness of protein language severely restricts the applicability of CoT-style reasoning. To overcome this, we introduce reflection pretraining, for the first time in a biological sequence model, which enables the model to engage in intermediate reasoning through the generation of auxiliary "thinking tokens" beyond simple answer tokens. Theoretically, we demonstrate that our augmented token set significantly enhances biological language expressiveness, thereby improving the overall reasoning capacity of the model. Experimentally, our pretraining approach teaches protein models to self-correct and leads to substantial performance gains compared to standard pretraining.
Abstract:Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific domains-remains lacking. We present an operational SGI definition grounded in the Practical Inquiry Model (PIM: Deliberation, Conception, Action, Perception) and operationalize it via four scientist-aligned tasks: deep research, idea generation, dry/wet experiments, and experimental reasoning. SGI-Bench comprises over 1,000 expert-curated, cross-disciplinary samples inspired by Science's 125 Big Questions, enabling systematic evaluation of state-of-the-art LLMs. Results reveal gaps: low exact match (10--20%) in deep research despite step-level alignment; ideas lacking feasibility and detail; high code executability but low execution result accuracy in dry experiments; low sequence fidelity in wet protocols; and persistent multimodal comparative-reasoning challenges. We further introduce Test-Time Reinforcement Learning (TTRL), which optimizes retrieval-augmented novelty rewards at inference, enhancing hypothesis novelty without reference answer. Together, our PIM-grounded definition, workflow-centric benchmark, and empirical insights establish a foundation for AI systems that genuinely participate in scientific discovery.
Abstract:Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modified proteome. Standard database search algorithms suffer from a combinatorial explosion of search spaces, limiting the identification of uncharacterized or complex modifications. Here we introduce OmniNovo, a unified deep learning framework for reference-free sequencing of unmodified and modified peptides directly from tandem mass spectra. Unlike existing tools restricted to specific modification types, OmniNovo learns universal fragmentation rules to decipher diverse PTMs within a single coherent model. By integrating a mass-constrained decoding algorithm with rigorous false discovery rate estimation, OmniNovo achieves state-of-the-art accuracy, identifying 51\% more peptides than standard approaches at a 1\% false discovery rate. Crucially, the model generalizes to biological sites unseen during training, illuminating the dark matter of the proteome and enabling unbiased comprehensive analysis of cellular regulation.
Abstract:Large language models (LLMs) have demonstrated remarkable reasoning abilities in complex tasks, often relying on Chain-of-Thought (CoT) reasoning. However, due to their autoregressive token-level generation, the reasoning process is largely constrained to local decision-making and lacks global planning. This limitation frequently results in redundant, incoherent, or inaccurate reasoning, which significantly degrades overall performance. Existing approaches, such as tree-based algorithms and reinforcement learning (RL), attempt to address this issue but suffer from high computational costs and often fail to produce optimal reasoning trajectories. To tackle this challenge, we propose Plan-Then-Action Enhanced Reasoning with Group Relative Policy Optimization PTA-GRPO, a two-stage framework designed to improve both high-level planning and fine-grained CoT reasoning. In the first stage, we leverage advanced LLMs to distill CoT into compact high-level guidance, which is then used for supervised fine-tuning (SFT). In the second stage, we introduce a guidance-aware RL method that jointly optimizes the final output and the quality of high-level guidance, thereby enhancing reasoning effectiveness. We conduct extensive experiments on multiple mathematical reasoning benchmarks, including MATH, AIME2024, AIME2025, and AMC, across diverse base models such as Qwen2.5-7B-Instruct, Qwen3-8B, Qwen3-14B, and LLaMA3.2-3B. Experimental results demonstrate that PTA-GRPO consistently achieves stable and significant improvements across different models and tasks, validating its effectiveness and generalization.
Abstract:Peptide sequencing-the process of identifying amino acid sequences from mass spectrometry data-is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have proven highly effective for this task, outperforming traditional methods. Unlike autoregressive models, which generate tokens sequentially, NATs predict all positions simultaneously, leveraging bidirectional context through unmasked self-attention. However, existing NAT approaches often rely on Connectionist Temporal Classification (CTC) loss, which presents significant optimization challenges due to CTC's complexity and increases the risk of training failures. To address these issues, we propose an improved non-autoregressive peptide sequencing model that incorporates a structured protein sequence curriculum learning strategy. This approach adjusts protein's learning difficulty based on the model's estimated protein generational capabilities through a sampling process, progressively learning peptide generation from simple to complex sequences. Additionally, we introduce a self-refining inference-time module that iteratively enhances predictions using learned NAT token embeddings, improving sequence accuracy at a fine-grained level. Our curriculum learning strategy reduces NAT training failures frequency by more than 90% based on sampled training over various data distributions. Evaluations on nine benchmark species demonstrate that our approach outperforms all previous methods across multiple metrics and species.
Abstract:Large language models (LLMs) have rapidly advanced and are increasingly capable of tackling complex scientific problems, including those in physics. Despite this progress, current LLMs often fail to emulate the concise, principle-based reasoning characteristic of human experts, instead generating lengthy and opaque solutions. This discrepancy highlights a crucial gap in their ability to apply core physical principles for efficient and interpretable problem solving. To systematically investigate this limitation, we introduce PhySense, a novel principle-based physics reasoning benchmark designed to be easily solvable by experts using guiding principles, yet deceptively difficult for LLMs without principle-first reasoning. Our evaluation across multiple state-of-the-art LLMs and prompt types reveals a consistent failure to align with expert-like reasoning paths, providing insights for developing AI systems with efficient, robust and interpretable principle-based scientific reasoning.
Abstract:De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrometry data and the heterogeneous distribution of noise signals, leading to data-specific biases. We present RankNovo, the first deep reranking framework that enhances de novo peptide sequencing by leveraging the complementary strengths of multiple sequencing models. RankNovo employs a list-wise reranking approach, modeling candidate peptides as multiple sequence alignments and utilizing axial attention to extract informative features across candidates. Additionally, we introduce two new metrics, PMD (Peptide Mass Deviation) and RMD (residual Mass Deviation), which offer delicate supervision by quantifying mass differences between peptides at both the sequence and residue levels. Extensive experiments demonstrate that RankNovo not only surpasses its base models used to generate training candidates for reranking pre-training, but also sets a new state-of-the-art benchmark. Moreover, RankNovo exhibits strong zero-shot generalization to unseen models whose generations were not exposed during training, highlighting its robustness and potential as a universal reranking framework for peptide sequencing. Our work presents a novel reranking strategy that fundamentally challenges existing single-model paradigms and advances the frontier of accurate de novo sequencing. Our source code is provided on GitHub.
Abstract:Deep learning has revolutionized medical image segmentation, yet its full potential remains constrained by the paucity of annotated datasets. While diffusion models have emerged as a promising approach for generating synthetic image-mask pairs to augment these datasets, they paradoxically suffer from the same data scarcity challenges they aim to mitigate. Traditional mask-only models frequently yield low-fidelity images due to their inability to adequately capture morphological intricacies, which can critically compromise the robustness and reliability of segmentation models. To alleviate this limitation, we introduce Siamese-Diffusion, a novel dual-component model comprising Mask-Diffusion and Image-Diffusion. During training, a Noise Consistency Loss is introduced between these components to enhance the morphological fidelity of Mask-Diffusion in the parameter space. During sampling, only Mask-Diffusion is used, ensuring diversity and scalability. Comprehensive experiments demonstrate the superiority of our method. Siamese-Diffusion boosts SANet's mDice and mIoU by 3.6% and 4.4% on the Polyps, while UNet improves by 1.52% and 1.64% on the ISIC2018. Code is available at GitHub.




Abstract:Hyperspectral image (HSI) classification is a crucial technique for remote sensing to build large-scale earth monitoring systems. HSI contains much more information than traditional visual images for identifying the categories of land covers. One recent feasible solution for HSI is to leverage CapsNets for capturing spectral-spatial information. However, these methods require high computational requirements due to the full connection architecture between stacked capsule layers. To solve this problem, a DWT-CapsNet is proposed to identify partial but important connections in CapsNet for a effective and efficient HSI classification. Specifically, we integrate a tailored attention mechanism into a Discrete Wavelet Transform (DWT)-based downsampling layer, alleviating the information loss problem of conventional downsampling operation in feature extractors. Moreover, we propose a novel multi-scale routing algorithm that prunes a large proportion of connections in CapsNet. A capsule pyramid fusion mechanism is designed to aggregate the spectral-spatial relationships in multiple levels of granularity, and then a self-attention mechanism is further conducted in a partially and locally connected architecture to emphasize the meaningful relationships. As shown in the experimental results, our method achieves state-of-the-art accuracy while keeping lower computational demand regarding running time, flops, and the number of parameters, rendering it an appealing choice for practical implementation in HSI classification.