ChemDFM-R: An Chemical Reasoner LLM Enhanced with Atomized Chemical Knowledge

While large language models (LLMs) have achieved impressive progress, their application in scientific domains such as chemistry remains hindered by shallow domain understanding and limited reasoning capabilities. In this work, we focus on the specific field of chemistry and develop a Chemical Reasoner LLM, ChemDFM-R. We first construct a comprehensive dataset of atomized knowledge points to enhance the model's understanding of the fundamental principles and logical structure of chemistry. Then, we propose a mix-sourced distillation strategy that integrates expert-curated knowledge with general-domain reasoning skills, followed by domain-specific reinforcement learning to enhance chemical reasoning. Experiments on diverse chemical benchmarks demonstrate that ChemDFM-R achieves cutting-edge performance while providing interpretable, rationale-driven outputs. Further case studies illustrate how explicit reasoning chains significantly improve the reliability, transparency, and practical utility of the model in real-world human-AI collaboration scenarios.

Reasoning-Driven Retrosynthesis Prediction with Large Language Models via Reinforcement Learning

Retrosynthesis planning, essential in organic synthesis and drug discovery, has greatly benefited from recent AI-driven advancements. Nevertheless, existing methods frequently face limitations in both applicability and explainability. Traditional graph-based and sequence-to-sequence models often lack generalized chemical knowledge, leading to predictions that are neither consistently accurate nor easily explainable. To address these challenges, we introduce RetroDFM-R, a reasoning-based large language model (LLM) designed specifically for chemical retrosynthesis. Leveraging large-scale reinforcement learning guided by chemically verifiable rewards, RetroDFM-R significantly enhances prediction accuracy and explainability. Comprehensive evaluations demonstrate that RetroDFM-R significantly outperforms state-of-the-art methods, achieving a top-1 accuracy of 65.0% on the USPTO-50K benchmark. Double-blind human assessments further validate the chemical plausibility and practical utility of RetroDFM-R's predictions. RetroDFM-R also accurately predicts multistep retrosynthetic routes reported in the literature for both real-world drug molecules and perovskite materials. Crucially, the model's explicit reasoning process provides human-interpretable insights, thereby enhancing trust and practical value in real-world retrosynthesis applications.

FastRef:Fast Prototype Refinement for Few-Shot Industrial Anomaly Detection

Few-shot industrial anomaly detection (FS-IAD) presents a critical challenge for practical automated inspection systems operating in data-scarce environments. While existing approaches predominantly focus on deriving prototypes from limited normal samples, they typically neglect to systematically incorporate query image statistics to enhance prototype representativeness. To address this issue, we propose FastRef, a novel and efficient prototype refinement framework for FS-IAD. Our method operates through an iterative two-stage process: (1) characteristic transfer from query features to prototypes via an optimizable transformation matrix, and (2) anomaly suppression through prototype alignment. The characteristic transfer is achieved through linear reconstruction of query features from prototypes, while the anomaly suppression addresses a key observation in FS-IAD that unlike conventional IAD with abundant normal prototypes, the limited-sample setting makes anomaly reconstruction more probable. Therefore, we employ optimal transport (OT) for non-Gaussian sampled features to measure and minimize the gap between prototypes and their refined counterparts for anomaly suppression. For comprehensive evaluation, we integrate FastRef with three competitive prototype-based FS-IAD methods: PatchCore, FastRecon, WinCLIP, and AnomalyDINO. Extensive experiments across four benchmark datasets of MVTec, ViSA, MPDD and RealIAD demonstrate both the effectiveness and computational efficiency of our approach under 1/2/4-shots.

Vela: Scalable Embeddings with Voice Large Language Models for Multimodal Retrieval

Multimodal large language models (MLLMs) have seen substantial progress in recent years. However, their ability to represent multimodal information in the acoustic domain remains underexplored. In this work, we introduce Vela, a novel framework designed to adapt MLLMs for the generation of universal multimodal embeddings. By leveraging MLLMs with specially crafted prompts and selected in-context learning examples, Vela effectively bridges the modality gap across various modalities. We then propose a single-modality training approach, where the model is trained exclusively on text pairs. Our experiments show that Vela outperforms traditional CLAP models in standard text-audio retrieval tasks. Furthermore, we introduce new benchmarks that expose CLAP models' limitations in handling long texts and complex retrieval tasks. In contrast, Vela, by harnessing the capabilities of MLLMs, demonstrates robust performance in these scenarios. Our code will soon be available.

Generative Representational Learning of Foundation Models for Recommendation

Developing a single foundation model with the capability to excel across diverse tasks has been a long-standing objective in the field of artificial intelligence. As the wave of general-purpose foundation models sweeps across various domains, their influence has significantly extended to the field of recommendation systems. While recent efforts have explored recommendation foundation models for various generative tasks, they often overlook crucial embedding tasks and struggle with the complexities of multi-task learning, including knowledge sharing & conflict resolution, and convergence speed inconsistencies. To address these limitations, we introduce RecFound, a generative representational learning framework for recommendation foundation models. We construct the first comprehensive dataset for recommendation foundation models covering both generative and embedding tasks across diverse scenarios. Based on this dataset, we propose a novel multi-task training scheme featuring a Task-wise Mixture of Low-rank Experts (TMoLE) to handle knowledge sharing & conflict, a Step-wise Convergence-oriented Sample Scheduler (S2Sched) to address inconsistent convergence, and a Model Merge module to balance the performance across tasks. Experiments demonstrate that RecFound achieves state-of-the-art performance across various recommendation tasks, outperforming existing baselines.

Enhancing Uncertainty Estimation and Interpretability via Bayesian Non-negative Decision Layer

Although deep neural networks have demonstrated significant success due to their powerful expressiveness, most models struggle to meet practical requirements for uncertainty estimation. Concurrently, the entangled nature of deep neural networks leads to a multifaceted problem, where various localized explanation techniques reveal that multiple unrelated features influence the decisions, thereby undermining interpretability. To address these challenges, we develop a Bayesian Non-negative Decision Layer (BNDL), which reformulates deep neural networks as a conditional Bayesian non-negative factor analysis. By leveraging stochastic latent variables, the BNDL can model complex dependencies and provide robust uncertainty estimation. Moreover, the sparsity and non-negativity of the latent variables encourage the model to learn disentangled representations and decision layers, thereby improving interpretability. We also offer theoretical guarantees that BNDL can achieve effective disentangled learning. In addition, we developed a corresponding variational inference method utilizing a Weibull variational inference network to approximate the posterior distribution of the latent variables. Our experimental results demonstrate that with enhanced disentanglement capabilities, BNDL not only improves the model's accuracy but also provides reliable uncertainty estimation and improved interpretability.

InfoDeepSeek: Benchmarking Agentic Information Seeking for Retrieval-Augmented Generation

Retrieval-Augmented Generation (RAG) enhances large language models (LLMs) by grounding responses with retrieved information. As an emerging paradigm, Agentic RAG further enhances this process by introducing autonomous LLM agents into the information seeking process. However, existing benchmarks fall short in evaluating such systems, as they are confined to a static retrieval environment with a fixed, limited corpus} and simple queries that fail to elicit agentic behavior. Moreover, their evaluation protocols assess information seeking effectiveness by pre-defined gold sets of documents, making them unsuitable for the open-ended and dynamic nature of real-world web environments. To bridge this gap, we present InfoDeepSeek, a new benchmark with challenging questions designed for assessing agentic information seeking in real-world, dynamic web environments. We propose a systematic methodology for constructing challenging queries satisfying the criteria of determinacy, difficulty, and diversity. Based on this, we develop the first evaluation framework tailored to dynamic agentic information seeking, including fine-grained metrics about the accuracy, utility, and compactness of information seeking outcomes. Through extensive experiments across LLMs, search engines, and question types, InfoDeepSeek reveals nuanced agent behaviors and offers actionable insights for future research.

Discovering Fine-Grained Visual-Concept Relations by Disentangled Optimal Transport Concept Bottleneck Models

Concept Bottleneck Models (CBMs) try to make the decision-making process transparent by exploring an intermediate concept space between the input image and the output prediction. Existing CBMs just learn coarse-grained relations between the whole image and the concepts, less considering local image information, leading to two main drawbacks: i) they often produce spurious visual-concept relations, hence decreasing model reliability; and ii) though CBMs could explain the importance of every concept to the final prediction, it is still challenging to tell which visual region produces the prediction. To solve these problems, this paper proposes a Disentangled Optimal Transport CBM (DOT-CBM) framework to explore fine-grained visual-concept relations between local image patches and concepts. Specifically, we model the concept prediction process as a transportation problem between the patches and concepts, thereby achieving explicit fine-grained feature alignment. We also incorporate orthogonal projection losses within the modality to enhance local feature disentanglement. To further address the shortcut issues caused by statistical biases in the data, we utilize the visual saliency map and concept label statistics as transportation priors. Thus, DOT-CBM can visualize inversion heatmaps, provide more reliable concept predictions, and produce more accurate class predictions. Comprehensive experiments demonstrate that our proposed DOT-CBM achieves SOTA performance on several tasks, including image classification, local part detection and out-of-distribution generalization.

WenyanGPT: A Large Language Model for Classical Chinese Tasks

Classical Chinese, as the core carrier of Chinese culture, plays a crucial role in the inheritance and study of ancient literature. However, existing natural language processing models primarily optimize for Modern Chinese, resulting in inadequate performance on Classical Chinese. This paper presents a comprehensive solution for Classical Chinese language processing. By continuing pre-training and instruction fine-tuning on the LLaMA3-8B-Chinese model, we construct a large language model, WenyanGPT, which is specifically designed for Classical Chinese tasks. Additionally, we develop an evaluation benchmark dataset, WenyanBENCH. Experimental results on WenyanBENCH demonstrate that WenyanGPT significantly outperforms current advanced LLMs in various Classical Chinese tasks. We make the model's training data, instruction fine-tuning data\footnote, and evaluation benchmark dataset publicly available to promote further research and development in the field of Classical Chinese processing.

Provable Failure of Language Models in Learning Majority Boolean Logic via Gradient Descent

Recent advancements in Transformer-based architectures have led to impressive breakthroughs in natural language processing tasks, with models such as GPT-4, Claude, and Gemini demonstrating human-level reasoning abilities. However, despite their high performance, concerns remain about the inherent limitations of these models, especially when it comes to learning basic logical functions. While complexity-theoretic analyses indicate that Transformers can represent simple logic functions (e.g., $\mathsf{AND}$, $\mathsf{OR}$, and majority gates) by its nature of belonging to the $\mathsf{TC}^0$ class, these results assume ideal parameter settings and do not account for the constraints imposed by gradient descent-based training methods. In this work, we investigate whether Transformers can truly learn simple majority functions when trained using gradient-based methods. We focus on a simplified variant of the Transformer architecture and consider both $n=\mathrm{poly}(d)$ and $n=\exp(\Omega(d))$ number of training samples, where each sample is a $d$-size binary string paired with the output of a basic majority function. Our analysis demonstrates that even after $\mathrm{poly}(d)$ gradient queries, the generalization error of the Transformer model still remains substantially large, growing exponentially with $d$. This work highlights fundamental optimization challenges in training Transformers for the simplest logical reasoning tasks and provides new insights into their theoretical limitations.