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Jan 5

AttriLens-Mol: Attribute Guided Reinforcement Learning for Molecular Property Prediction with Large Language Models

Large Language Models (LLMs) have shown promise in assisting molecular property prediction tasks but often rely on human-crafted prompts and chain-of-thought templates. While recent advanced large reasoning models like DeepSeek-R1 employ reinforcement learning for an extended ``thinking'' process, their reasoning can be verbose and lack relevance. We introduce AttriLens-Mol, an attribute-guided reinforcement learning framework for molecular property prediction with LLMs. AttriLens-Mol steers the model's reasoning by using: (1) a format reward encouraging attribute-based structured output, (2) a count reward to avoid enumerating irrelevant attributes, and (3) a rationality reward using advanced LLMs and RDKit to verify the relatedness of the generated attributes. This approach implicitly elicits the model's inherent knowledge of relevant molecular attributes during reasoning, enables making predictions for the molecular property more effectively. Experiments on both in-distribution and out-of-distribution datasets show that, training both 7B-size R1-Distilled-Qwen2.5 and R1-Distilled-LLaMA3.1 models on 4,000 samples with our proposed AttriLens-Mol method significantly boosts the performance, getting comparable or better results than supervised fine-tuning models (Mol-Instructions, ChemDFM, etc.) and advanced models (GPT-3.5, GPT-4o, DeepSeek-V3, DeepSeek-R1, etc.). Further, our extracted attributes for the target property, when used as features for an interpretable decision tree model, yield superior performance compared to attributes generated by prompting LLMs. This shows that AttriLens-Mol effectively elicits more relevant and predictive molecular attributes, leading to enhanced interpretability and performance for property prediction. We release the code in https://github.com/szu-tera/AttriLens-Mol.

  • 3 authors
·
Aug 6, 2025

EmoSet: A Large-scale Visual Emotion Dataset with Rich Attributes

Visual Emotion Analysis (VEA) aims at predicting people's emotional responses to visual stimuli. This is a promising, yet challenging, task in affective computing, which has drawn increasing attention in recent years. Most of the existing work in this area focuses on feature design, while little attention has been paid to dataset construction. In this work, we introduce EmoSet, the first large-scale visual emotion dataset annotated with rich attributes, which is superior to existing datasets in four aspects: scale, annotation richness, diversity, and data balance. EmoSet comprises 3.3 million images in total, with 118,102 of these images carefully labeled by human annotators, making it five times larger than the largest existing dataset. EmoSet includes images from social networks, as well as artistic images, and it is well balanced between different emotion categories. Motivated by psychological studies, in addition to emotion category, each image is also annotated with a set of describable emotion attributes: brightness, colorfulness, scene type, object class, facial expression, and human action, which can help understand visual emotions in a precise and interpretable way. The relevance of these emotion attributes is validated by analyzing the correlations between them and visual emotion, as well as by designing an attribute module to help visual emotion recognition. We believe EmoSet will bring some key insights and encourage further research in visual emotion analysis and understanding. Project page: https://vcc.tech/EmoSet.

  • 6 authors
·
Jul 16, 2023

SETR: A Two-Stage Semantic-Enhanced Framework for Zero-Shot Composed Image Retrieval

Zero-shot Composed Image Retrieval (ZS-CIR) aims to retrieve a target image given a reference image and a relative text, without relying on costly triplet annotations. Existing CLIP-based methods face two core challenges: (1) union-based feature fusion indiscriminately aggregates all visual cues, carrying over irrelevant background details that dilute the intended modification, and (2) global cosine similarity from CLIP embeddings lacks the ability to resolve fine-grained semantic relations. To address these issues, we propose SETR (Semantic-enhanced Two-Stage Retrieval). In the coarse retrieval stage, SETR introduces an intersection-driven strategy that retains only the overlapping semantics between the reference image and relative text, thereby filtering out distractors inherent to union-based fusion and producing a cleaner, high-precision candidate set. In the fine-grained re-ranking stage, we adapt a pretrained multimodal LLM with Low-Rank Adaptation to conduct binary semantic relevance judgments ("Yes/No"), which goes beyond CLIP's global feature matching by explicitly verifying relational and attribute-level consistency. Together, these two stages form a complementary pipeline: coarse retrieval narrows the candidate pool with high recall, while re-ranking ensures precise alignment with nuanced textual modifications. Experiments on CIRR, Fashion-IQ, and CIRCO show that SETR achieves new state-of-the-art performance, improving Recall@1 on CIRR by up to 15.15 points. Our results establish two-stage reasoning as a general paradigm for robust and portable ZS-CIR.

  • 2 authors
·
Sep 30, 2025

Robust Reward Modeling via Causal Rubrics

Reward models (RMs) are fundamental to aligning Large Language Models (LLMs) via human feedback, yet they often suffer from reward hacking. They tend to latch on to superficial or spurious attributes, such as response length or formatting, mistaking these cues learned from correlations in training data for the true causal drivers of quality (e.g., factuality, relevance). This occurs because standard training objectives struggle to disentangle these factors, leading to brittle RMs and misaligned policies. We introduce Crome (Causally Robust Reward Modeling), a novel framework grounded in an explicit causal model designed to mitigate reward hacking. Crome employs the following synthetic targeted augmentations during training: (1) Causal Augmentations, which are pairs that differ along specific causal attributes, to enforce sensitivity along each causal attribute individually, and (2) Neutral Augmentations, which are tie-label pairs varying primarily in spurious attributes, to enforce invariance along spurious attributes. Notably, our augmentations are produced without any knowledge of spurious factors, via answer interventions only along causal rubrics, that are identified by querying an oracle LLM. Empirically, Crome significantly outperforms standard baselines on RewardBench, improving average accuracy by up to 5.4% and achieving gains of up to 13.2% and 7.2% in specific categories. The robustness of Crome is further testified by the consistent gains obtained in a Best-of-N inference setting across increasing N, across various benchmarks, including the popular RewardBench (covering chat, chat-hard, safety, and reasoning tasks), the safety-focused WildGuardTest, and the reasoning-specific GSM8k.

  • 12 authors
·
Jun 19, 2025 3

When Can We Trust LLMs in Mental Health? Large-Scale Benchmarks for Reliable LLM Evaluation

Evaluating Large Language Models (LLMs) for mental health support is challenging due to the emotionally and cognitively complex nature of therapeutic dialogue. Existing benchmarks are limited in scale, reliability, often relying on synthetic or social media data, and lack frameworks to assess when automated judges can be trusted. To address the need for large-scale dialogue datasets and judge reliability assessment, we introduce two benchmarks that provide a framework for generation and evaluation. MentalBench-100k consolidates 10,000 one-turn conversations from three real scenarios datasets, each paired with nine LLM-generated responses, yielding 100,000 response pairs. MentalAlign-70k}reframes evaluation by comparing four high-performing LLM judges with human experts across 70,000 ratings on seven attributes, grouped into Cognitive Support Score (CSS) and Affective Resonance Score (ARS). We then employ the Affective Cognitive Agreement Framework, a statistical methodology using intraclass correlation coefficients (ICC) with confidence intervals to quantify agreement, consistency, and bias between LLM judges and human experts. Our analysis reveals systematic inflation by LLM judges, strong reliability for cognitive attributes such as guidance and informativeness, reduced precision for empathy, and some unreliability in safety and relevance. Our contributions establish new methodological and empirical foundations for reliable, large-scale evaluation of LLMs in mental health. We release the benchmarks and codes at: https://github.com/abeerbadawi/MentalBench/

  • 9 authors
·
Oct 21, 2025

OneSearch: A Preliminary Exploration of the Unified End-to-End Generative Framework for E-commerce Search

Traditional e-commerce search systems employ multi-stage cascading architectures (MCA) that progressively filter items through recall, pre-ranking, and ranking stages. While effective at balancing computational efficiency with business conversion, these systems suffer from fragmented computation and optimization objective collisions across stages, which ultimately limit their performance ceiling. To address these, we propose OneSearch, the first industrial-deployed end-to-end generative framework for e-commerce search. This framework introduces three key innovations: (1) a Keyword-enhanced Hierarchical Quantization Encoding (KHQE) module, to preserve both hierarchical semantics and distinctive item attributes while maintaining strong query-item relevance constraints; (2) a multi-view user behavior sequence injection strategy that constructs behavior-driven user IDs and incorporates both explicit short-term and implicit long-term sequences to model user preferences comprehensively; and (3) a Preference-Aware Reward System (PARS) featuring multi-stage supervised fine-tuning and adaptive reward-weighted ranking to capture fine-grained user preferences. Extensive offline evaluations on large-scale industry datasets demonstrate OneSearch's superior performance for high-quality recall and ranking. The rigorous online A/B tests confirm its ability to enhance relevance in the same exposure position, achieving statistically significant improvements: +1.67% item CTR, +2.40% buyer, and +3.22% order volume. Furthermore, OneSearch reduces operational expenditure by 75.40% and improves Model FLOPs Utilization from 3.26% to 27.32%. The system has been successfully deployed across multiple search scenarios in Kuaishou, serving millions of users, generating tens of millions of PVs daily.

  • 28 authors
·
Sep 3, 2025