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Jul 30

Multi-hop Reasoning via Early Knowledge Alignment

Retrieval-Augmented Generation (RAG) has emerged as a powerful paradigm for Large Language Models (LLMs) to address knowledge-intensive queries requiring domain-specific or up-to-date information. To handle complex multi-hop questions that are challenging for single-step retrieval, iterative RAG approaches incorporating reinforcement learning have been proposed. However, existing iterative RAG systems typically plan to decompose questions without leveraging information about the available retrieval corpus, leading to inefficient retrieval and reasoning chains that cascade into suboptimal performance. In this paper, we introduce Early Knowledge Alignment (EKA), a simple but effective module that aligns LLMs with retrieval set before planning in iterative RAG systems with contextually relevant retrieved knowledge. Extensive experiments on six standard RAG datasets demonstrate that by establishing a stronger reasoning foundation, EKA significantly improves retrieval precision, reduces cascading errors, and enhances both performance and efficiency. Our analysis from an entropy perspective demonstrate that incorporating early knowledge reduces unnecessary exploration during the reasoning process, enabling the model to focus more effectively on relevant information subsets. Moreover, EKA proves effective as a versatile, training-free inference strategy that scales seamlessly to large models. Generalization tests across diverse datasets and retrieval corpora confirm the robustness of our approach. Overall, EKA advances the state-of-the-art in iterative RAG systems while illuminating the critical interplay between structured reasoning and efficient exploration in reinforcement learning-augmented frameworks. The code is released at https://github.com/yxzwang/EarlyKnowledgeAlignment{Github}.

  • 7 authors
·
Dec 23, 2025 3

Cognitive Visual-Language Mapper: Advancing Multimodal Comprehension with Enhanced Visual Knowledge Alignment

Evaluating and Rethinking the current landscape of Large Multimodal Models (LMMs), we observe that widely-used visual-language projection approaches (e.g., Q-former or MLP) focus on the alignment of image-text descriptions yet ignore the visual knowledge-dimension alignment, i.e., connecting visuals to their relevant knowledge. Visual knowledge plays a significant role in analyzing, inferring, and interpreting information from visuals, helping improve the accuracy of answers to knowledge-based visual questions. In this paper, we mainly explore improving LMMs with visual-language knowledge alignment, especially aimed at challenging knowledge-based visual question answering (VQA). To this end, we present a Cognitive Visual-Language Mapper (CVLM), which contains a pretrained Visual Knowledge Aligner (VKA) and a Fine-grained Knowledge Adapter (FKA) used in the multimodal instruction tuning stage. Specifically, we design the VKA based on the interaction between a small language model and a visual encoder, training it on collected image-knowledge pairs to achieve visual knowledge acquisition and projection. FKA is employed to distill the fine-grained visual knowledge of an image and inject it into Large Language Models (LLMs). We conduct extensive experiments on knowledge-based VQA benchmarks and experimental results show that CVLM significantly improves the performance of LMMs on knowledge-based VQA (average gain by 5.0%). Ablation studies also verify the effectiveness of VKA and FKA, respectively.

  • 5 authors
·
Feb 21, 2024

KorNAT: LLM Alignment Benchmark for Korean Social Values and Common Knowledge

For Large Language Models (LLMs) to be effectively deployed in a specific country, they must possess an understanding of the nation's culture and basic knowledge. To this end, we introduce National Alignment, which measures an alignment between an LLM and a targeted country from two aspects: social value alignment and common knowledge alignment. Social value alignment evaluates how well the model understands nation-specific social values, while common knowledge alignment examines how well the model captures basic knowledge related to the nation. We constructed KorNAT, the first benchmark that measures national alignment with South Korea. For the social value dataset, we obtained ground truth labels from a large-scale survey involving 6,174 unique Korean participants. For the common knowledge dataset, we constructed samples based on Korean textbooks and GED reference materials. KorNAT contains 4K and 6K multiple-choice questions for social value and common knowledge, respectively. Our dataset creation process is meticulously designed and based on statistical sampling theory and was refined through multiple rounds of human review. The experiment results of seven LLMs reveal that only a few models met our reference score, indicating a potential for further enhancement. KorNAT has received government approval after passing an assessment conducted by a government-affiliated organization dedicated to evaluating dataset quality. Samples and detailed evaluation protocols of our dataset can be found in https://selectstar.ai/ko/papers-national-alignment

  • 7 authors
·
Feb 21, 2024

Distribution Shift Matters for Knowledge Distillation with Webly Collected Images

Knowledge distillation aims to learn a lightweight student network from a pre-trained teacher network. In practice, existing knowledge distillation methods are usually infeasible when the original training data is unavailable due to some privacy issues and data management considerations. Therefore, data-free knowledge distillation approaches proposed to collect training instances from the Internet. However, most of them have ignored the common distribution shift between the instances from original training data and webly collected data, affecting the reliability of the trained student network. To solve this problem, we propose a novel method dubbed ``Knowledge Distillation between Different Distributions" (KD^{3}), which consists of three components. Specifically, we first dynamically select useful training instances from the webly collected data according to the combined predictions of teacher network and student network. Subsequently, we align both the weighted features and classifier parameters of the two networks for knowledge memorization. Meanwhile, we also build a new contrastive learning block called MixDistribution to generate perturbed data with a new distribution for instance alignment, so that the student network can further learn a distribution-invariant representation. Intensive experiments on various benchmark datasets demonstrate that our proposed KD^{3} can outperform the state-of-the-art data-free knowledge distillation approaches.

  • 5 authors
·
Jul 21, 2023

Revisiting the Superficial Alignment Hypothesis

The Superficial Alignment Hypothesis posits that almost all of a language model's abilities and knowledge are learned during pre-training, while post-training is about giving a model the right style and format. We re-examine these claims by empirically studying the scaling behavior of post-training with increasing finetuning examples and evaluating them using objective task-specific standardized benchmarks. Through experiments with the Llama-3, Mistral, and Llama-2 model families of multiple sizes, we observe that, similar to the pre-training scaling laws, post-training task performance scales as a power law against the number of finetuning examples. This power law relationship holds across a broad array of capabilities, including mathematical reasoning, coding, instruction following, and multihop-reasoning. In addition, for tasks like math and multihop reasoning, we observe that a handful of examples merely align the model stylistically but do not saturate performance on the benchmarks. Model performance is instead correlated with its reasoning ability and it improves significantly with more examples, illustrating the need for holistic evaluation programs leveraging objective benchmarks in addition to measurement of alignment to human preferences. We also observe that language models are not necessarily limited to using knowledge learned during pre-training. With appropriate post-training, a model's ability to integrate new knowledge greatly improves on downstream tasks like multihop question-answering. Taken together, these results shed new light on the Superficial Alignment Hypothesis, suggesting that it is, at best, an over-simplification.

  • 3 authors
·
Sep 27, 2024

Progressive Collaborative and Semantic Knowledge Fusion for Generative Recommendation

With the recent surge in interest surrounding generative paradigms, generative recommendation has increasingly attracted the attention of researchers in the recommendation community. This paradigm generally consists of two stages. In the first stage, pretrained semantic embeddings or collaborative ID embeddings are quantized to create item codes, aiming to capture and preserve rich semantic or collaborative knowledge within these codes. The second stage involves utilizing these discrete codes to perform an autoregressive sequence generation task. Existing methods often either overlook collaborative or semantic knowledge, or combine the two roughly. In this paper, we observe that naively concatenating representations from semantic and collaborative modality leads to a semantic domination issue, where the resulting representation is overly influenced by semantic information, effectively overshadowing the collaborative representation. Consequently, downstream recommendation tasks fail to fully exploit the knowledge from both modalities, resulting in suboptimal performance. To address this, we propose a progressive collaborative and semantic knowledge fusion model for generative recommendation, named PRORec, which integrates semantic and collaborative knowledge with a unified code through a two-stage framework. Specifically, in the first stage, we propose a cross-modality knowledge alignment task, which integrates semantic knowledge into collaborative embeddings, enhancing their representational capability. In the second stage, we propose an in-modality knowledge distillation task, designed to effectively capture and integrate knowledge from both semantic and collaborative modalities. Extensive experiments on three widely used benchmarks validate the effectiveness of our approach, demonstrating its superiority compared to existing methods.

  • 9 authors
·
Feb 10, 2025

KAG: Boosting LLMs in Professional Domains via Knowledge Augmented Generation

The recently developed retrieval-augmented generation (RAG) technology has enabled the efficient construction of domain-specific applications. However, it also has limitations, including the gap between vector similarity and the relevance of knowledge reasoning, as well as insensitivity to knowledge logic, such as numerical values, temporal relations, expert rules, and others, which hinder the effectiveness of professional knowledge services. In this work, we introduce a professional domain knowledge service framework called Knowledge Augmented Generation (KAG). KAG is designed to address the aforementioned challenges with the motivation of making full use of the advantages of knowledge graph(KG) and vector retrieval, and to improve generation and reasoning performance by bidirectionally enhancing large language models (LLMs) and KGs through five key aspects: (1) LLM-friendly knowledge representation, (2) mutual-indexing between knowledge graphs and original chunks, (3) logical-form-guided hybrid reasoning engine, (4) knowledge alignment with semantic reasoning, and (5) model capability enhancement for KAG. We compared KAG with existing RAG methods in multihop question answering and found that it significantly outperforms state-of-theart methods, achieving a relative improvement of 19.6% on 2wiki and 33.5% on hotpotQA in terms of F1 score. We have successfully applied KAG to two professional knowledge Q&A tasks of Ant Group, including E-Government Q&A and E-Health Q&A, achieving significant improvement in professionalism compared to RAG methods.

  • 19 authors
·
Sep 9, 2024

Feature Distribution Matching for Federated Domain Generalization

Multi-source domain adaptation has been intensively studied. The distribution shift in features inherent to specific domains causes the negative transfer problem, degrading a model's generality to unseen tasks. In Federated Learning (FL), learned model parameters are shared to train a global model that leverages the underlying knowledge across client models trained on separate data domains. Nonetheless, the data confidentiality of FL hinders the effectiveness of traditional domain adaptation methods that require prior knowledge of different domain data. We propose a new federated domain generalization method called Federated Knowledge Alignment (FedKA). FedKA leverages feature distribution matching in a global workspace such that the global model can learn domain-invariant client features under the constraint of unknown client data. FedKA employs a federated voting mechanism that generates target domain pseudo-labels based on the consensus from clients to facilitate global model fine-tuning. We performed extensive experiments, including an ablation study, to evaluate the effectiveness of the proposed method in both image and text classification tasks using different model architectures. The empirical results show that FedKA achieves performance gains of 8.8% and 3.5% in Digit-Five and Office-Caltech10, respectively, and a gain of 0.7% in Amazon Review with extremely limited training data. Moreover, we studied the effectiveness of FedKA in alleviating the negative transfer of FL based on a new criterion called Group Effect. The results show that FedKA can reduce negative transfer, improving the performance gain via model aggregation by 4 times.

  • 3 authors
·
Mar 22, 2022

The Digital Cybersecurity Expert: How Far Have We Come?

The increasing deployment of large language models (LLMs) in the cybersecurity domain underscores the need for effective model selection and evaluation. However, traditional evaluation methods often overlook specific cybersecurity knowledge gaps that contribute to performance limitations. To address this, we develop CSEBenchmark, a fine-grained cybersecurity evaluation framework based on 345 knowledge points expected of cybersecurity experts. Drawing from cognitive science, these points are categorized into factual, conceptual, and procedural types, enabling the design of 11,050 tailored multiple-choice questions. We evaluate 12 popular LLMs on CSEBenchmark and find that even the best-performing model achieves only 85.42% overall accuracy, with particular knowledge gaps in the use of specialized tools and uncommon commands. Different LLMs have unique knowledge gaps. Even large models from the same family may perform poorly on knowledge points where smaller models excel. By identifying and addressing specific knowledge gaps in each LLM, we achieve up to an 84% improvement in correcting previously incorrect predictions across three existing benchmarks for two cybersecurity tasks. Furthermore, our assessment of each LLM's knowledge alignment with specific cybersecurity roles reveals that different models align better with different roles, such as GPT-4o for the Google Senior Intelligence Analyst and Deepseek-V3 for the Amazon Privacy Engineer. These findings underscore the importance of aligning LLM selection with the specific knowledge requirements of different cybersecurity roles for optimal performance.

  • 8 authors
·
Apr 16, 2025

LLaMA Beyond English: An Empirical Study on Language Capability Transfer

In recent times, substantial advancements have been witnessed in large language models (LLMs), exemplified by ChatGPT, showcasing remarkable proficiency across a range of complex tasks. However, many mainstream LLMs (e.g. LLaMA) are pretrained on English-dominant corpus, which limits their performance in other non-English languages. In this paper, we focus on how to effectively transfer the capabilities of language generation and following instructions to a non-English language. To answer this question, we conduct an extensive empirical investigation based on LLaMA, accumulating over 1440 GPU hours. We analyze the impact of key factors such as vocabulary extension, further pretraining, and instruction tuning on transfer. To accurately assess the model's level of knowledge, we employ four widely used standardized testing benchmarks: C-Eval, MMLU, AGI-Eval, and GAOKAO-Bench. Furthermore, a comprehensive evaluation of the model's response quality is conducted, considering aspects such as accuracy, fluency, informativeness, logical coherence, and harmlessness, based on LLM-Eval, a benchmarks consisting instruction tasks from 17 diverse categories. Our evaluation results demonstrate that comparable performance to state-of-the-art transfer models can be achieved with less than 1% of the pretraining data, both in terms of knowledge alignment and response quality. Furthermore, the experimental outcomes across the thirteen low-resource languages also exhibit similar trends. We anticipate that the conclusions revealed by the experiments will aid the community in developing non-English LLMs.

  • 5 authors
·
Jan 2, 2024 4

S1-Omni: A Unified Multimodal Reasoning Model for Scientific Understanding, Prediction, and Generation

We present S1-Omni, a unified multimodal reasoning model for scientific understanding, prediction, and generation. AI for Science (AI4S) has advanced significantly through domain-specific models, tool-augmented LLMs, and scientific language models. However, model capabilities remain highly fragmented, limiting the joint modeling of heterogeneous data, scientific laws, and expert knowledge. S1-Omni addresses this gap by consolidating these capabilities into a single, coherent scientific reasoning model. The architecture of S1-Omni is built upon three core components: unified representation of scientific data, natural-world knowledge alignment, and decoding for domain-specific tasks. First, S1-Omni maps natural-language instructions and scientific objects, including CIF, SMILES, protein sequences, spectra, and scientific images, into a shared representation space. Second, it incorporates scientific laws and expert knowledge into data construction and training, enabling the model to reason from scientific evidence. Third, it performs task-specific decoding to support a broad range of applications, including property prediction, spectrum-to-molecular generation, protein site and structure prediction, and scientific image generation and editing. S1-Omni is trained on S1-Omni-Corpus, which covers 200 scientific tasks and contains millions of reasoning samples, and is evaluated on over 60 scientific benchmarks. It outperforms GPT-5.5 and Gemini-3.1-Pro on most benchmarks and matches or surpasses domain-specific models on several benchmarks. Overall, S1-Omni provides a practical path toward unified scientific modeling.

  • 22 authors
·
Jul 16 2

Complementary Subspace Low-Rank Adaptation of Vision-Language Models for Few-Shot Classification

Vision language model (VLM) has been designed for large scale image-text alignment as a pretrained foundation model. For downstream few shot classification tasks, parameter efficient fine-tuning (PEFT) VLM has gained much popularity in the computer vision community. PEFT methods like prompt tuning and linear adapter have been studied for fine-tuning VLM while low rank adaptation (LoRA) algorithm has rarely been considered for few shot fine-tuning VLM. The main obstacle to use LoRA for few shot fine-tuning is the catastrophic forgetting problem. Because the visual language alignment knowledge is important for the generality in few shot learning, whereas low rank adaptation interferes with the most informative direction of the pretrained weight matrix. We propose the complementary subspace low rank adaptation (Comp-LoRA) method to regularize the catastrophic forgetting problem in few shot VLM finetuning. In detail, we optimize the low rank matrix in the complementary subspace, thus preserving the general vision language alignment ability of VLM when learning the novel few shot information. We conduct comparison experiments of the proposed Comp-LoRA method and other PEFT methods on fine-tuning VLM for few shot classification. And we also present the suppression on the catastrophic forgetting problem of our proposed method against directly applying LoRA to VLM. The results show that the proposed method surpasses the baseline method by about +1.0\% Top-1 accuracy and preserves the VLM zero-shot performance over the baseline method by about +1.3\% Top-1 accuracy.

  • 6 authors
·
Jan 24, 2025

OFA: A Framework of Initializing Unseen Subword Embeddings for Efficient Large-scale Multilingual Continued Pretraining

Pretraining multilingual language models from scratch requires considerable computational resources and substantial training data. Therefore, a more efficient method is to adapt existing pretrained language models (PLMs) to new languages via vocabulary extension and continued pretraining. However, this method usually randomly initializes the embeddings of new subwords and introduces substantially more embedding parameters to the language model, thus weakening the efficiency. To address these issues, we propose a novel framework: One For All (\textsc{Ofa}), which wisely initializes the embeddings of unseen subwords from target languages and thus can adapt a PLM to multiple languages efficiently and effectively. Ofa takes advantage of external well-aligned multilingual word embeddings and injects the alignment knowledge into the new embeddings. In addition, Ofa applies matrix factorization and replaces the cumbersome embeddings with two lower-dimensional matrices, which significantly reduces the number of parameters while not sacrificing the performance. Through extensive experiments, we show models initialized by Ofa are efficient and outperform several baselines. Ofa not only accelerates the convergence of continued pretraining, which is friendly to a limited computation budget, but also improves the zero-shot crosslingual transfer on a wide range of downstream tasks. We make our code and models publicly available.

  • 4 authors
·
Nov 15, 2023 4

ADAPT: Vision-Language Navigation with Modality-Aligned Action Prompts

Vision-Language Navigation (VLN) is a challenging task that requires an embodied agent to perform action-level modality alignment, i.e., make instruction-asked actions sequentially in complex visual environments. Most existing VLN agents learn the instruction-path data directly and cannot sufficiently explore action-level alignment knowledge inside the multi-modal inputs. In this paper, we propose modAlity-aligneD Action PrompTs (ADAPT), which provides the VLN agent with action prompts to enable the explicit learning of action-level modality alignment to pursue successful navigation. Specifically, an action prompt is defined as a modality-aligned pair of an image sub-prompt and a text sub-prompt, where the former is a single-view observation and the latter is a phrase like ''walk past the chair''. When starting navigation, the instruction-related action prompt set is retrieved from a pre-built action prompt base and passed through a prompt encoder to obtain the prompt feature. Then the prompt feature is concatenated with the original instruction feature and fed to a multi-layer transformer for action prediction. To collect high-quality action prompts into the prompt base, we use the Contrastive Language-Image Pretraining (CLIP) model which has powerful cross-modality alignment ability. A modality alignment loss and a sequential consistency loss are further introduced to enhance the alignment of the action prompt and enforce the agent to focus on the related prompt sequentially. Experimental results on both R2R and RxR show the superiority of ADAPT over state-of-the-art methods.

  • 6 authors
·
May 30, 2022

PromptEcho: Annotation-Free Reward from Vision-Language Models for Text-to-Image Reinforcement Learning

Reinforcement learning (RL) can improve the prompt following capability of text-to-image (T2I) models, yet obtaining high-quality reward signals remains challenging: CLIP Score is too coarse-grained, while VLM-based reward models (e.g., RewardDance) require costly human-annotated preference data and additional fine-tuning. We propose PromptEcho, a reward construction method that requires no annotation and no reward model training. Given a generated image and a guiding query, PromptEcho computes the token-level cross-entropy loss of a frozen VLM with the original prompt as the label, directly extracting the image-text alignment knowledge encoded during VLM pretraining. The reward is deterministic, computationally efficient, and improves automatically as stronger open-source VLMs become available. For evaluation, we develop DenseAlignBench, a benchmark of concept-rich dense captions for rigorously testing prompt following capability. Experimental results on two state-of-the-art T2I models (Z-Image and QwenImage-2512) demonstrate that PromptEcho achieves substantial improvements on DenseAlignBench (+26.8pp / +16.2pp net win rate), along with consistent gains on GenEval, DPG-Bench, and TIIFBench without any task-specific training. Ablation studies confirm that PromptEcho comprehensively outperforms inference-based scoring with the same VLM, and that reward quality scales with VLM size. We will open-source the trained models and the DenseAlignBench.

  • 6 authors
·
Apr 13

LLM-Align: Utilizing Large Language Models for Entity Alignment in Knowledge Graphs

Entity Alignment (EA) seeks to identify and match corresponding entities across different Knowledge Graphs (KGs), playing a crucial role in knowledge fusion and integration. Embedding-based entity alignment (EA) has recently gained considerable attention, resulting in the emergence of many innovative approaches. Initially, these approaches concentrated on learning entity embeddings based on the structural features of knowledge graphs (KGs) as defined by relation triples. Subsequent methods have integrated entities' names and attributes as supplementary information to improve the embeddings used for EA. However, existing methods lack a deep semantic understanding of entity attributes and relations. In this paper, we propose a Large Language Model (LLM) based Entity Alignment method, LLM-Align, which explores the instruction-following and zero-shot capabilities of Large Language Models to infer alignments of entities. LLM-Align uses heuristic methods to select important attributes and relations of entities, and then feeds the selected triples of entities to an LLM to infer the alignment results. To guarantee the quality of alignment results, we design a multi-round voting mechanism to mitigate the hallucination and positional bias issues that occur with LLMs. Experiments on three EA datasets, demonstrating that our approach achieves state-of-the-art performance compared to existing EA methods.

  • 3 authors
·
Dec 5, 2024

Can Linguistic Knowledge Improve Multimodal Alignment in Vision-Language Pretraining?

The multimedia community has shown a significant interest in perceiving and representing the physical world with multimodal pretrained neural network models, and among them, the visual-language pertaining (VLP) is, currently, the most captivating topic. However, there have been few endeavors dedicated to the exploration of 1) whether essential linguistic knowledge (e.g., semantics and syntax) can be extracted during VLP, and 2) how such linguistic knowledge impact or enhance the multimodal alignment. In response, here we aim to elucidate the impact of comprehensive linguistic knowledge, including semantic expression and syntactic structure, on multimodal alignment. Specifically, we design and release the SNARE, the first large-scale multimodal alignment probing benchmark, to detect the vital linguistic components, e.g., lexical, semantic, and syntax knowledge, containing four tasks: Semantic structure, Negation logic, Attribute ownership, and Relationship composition. Based on our proposed probing benchmarks, our holistic analyses of five advanced VLP models illustrate that the VLP model: i) shows insensitivity towards complex syntax structures and relies on content words for sentence comprehension; ii) demonstrates limited comprehension of combinations between sentences and negations; iii) faces challenges in determining the presence of actions or spatial relationships within visual information and struggles with verifying the correctness of triple combinations. We make our benchmark and code available at https://github.com/WangFei-2019/SNARE/.

  • 6 authors
·
Aug 24, 2023

A Progressive Framework of Vision-language Knowledge Distillation and Alignment for Multilingual Scene

Pre-trained vision-language (V-L) models such as CLIP have shown excellent performance in many downstream cross-modal tasks. However, most of them are only applicable to the English context. Subsequent research has focused on this problem and proposed improved models, such as CN-CLIP and AltCLIP, to facilitate their applicability to Chinese and even other languages. Nevertheless, these models suffer from high latency and a large memory footprint in inference, which limits their further deployment on resource-constrained edge devices. In this work, we propose a conceptually simple yet effective multilingual CLIP Compression framework and train a lightweight multilingual vision-language model, called DC-CLIP, for both Chinese and English context. In this framework, we collect high-quality Chinese and English text-image pairs and design two training stages, including multilingual vision-language feature distillation and alignment. During the first stage, lightweight image/text student models are designed to learn robust visual/multilingual textual feature representation ability from corresponding teacher models, respectively. Subsequently, the multilingual vision-language alignment stage enables effective alignment of visual and multilingual textual features to further improve the model's multilingual performance. Comprehensive experiments in zero-shot image classification, conducted based on the ELEVATER benchmark, showcase that DC-CLIP achieves superior performance in the English context and competitive performance in the Chinese context, even with less training data, when compared to existing models of similar parameter magnitude. The evaluation demonstrates the effectiveness of our designed training mechanism.

  • 6 authors
·
Apr 17, 2024

DiffKG: Knowledge Graph Diffusion Model for Recommendation

Knowledge Graphs (KGs) have emerged as invaluable resources for enriching recommendation systems by providing a wealth of factual information and capturing semantic relationships among items. Leveraging KGs can significantly enhance recommendation performance. However, not all relations within a KG are equally relevant or beneficial for the target recommendation task. In fact, certain item-entity connections may introduce noise or lack informative value, thus potentially misleading our understanding of user preferences. To bridge this research gap, we propose a novel knowledge graph diffusion model for recommendation, referred to as DiffKG. Our framework integrates a generative diffusion model with a data augmentation paradigm, enabling robust knowledge graph representation learning. This integration facilitates a better alignment between knowledge-aware item semantics and collaborative relation modeling. Moreover, we introduce a collaborative knowledge graph convolution mechanism that incorporates collaborative signals reflecting user-item interaction patterns, guiding the knowledge graph diffusion process. We conduct extensive experiments on three publicly available datasets, consistently demonstrating the superiority of our DiffKG compared to various competitive baselines. We provide the source code repository of our proposed DiffKG model at the following link: https://github.com/HKUDS/DiffKG.

  • 4 authors
·
Dec 28, 2023

A Knowledge-enhanced Pathology Vision-language Foundation Model for Cancer Diagnosis

Deep learning has enabled the development of highly robust foundation models for various pathological tasks across diverse diseases and patient cohorts. Among these models, vision-language pre-training, which leverages large-scale paired data to align pathology image and text embedding spaces, and provides a novel zero-shot paradigm for downstream tasks. However, existing models have been primarily data-driven and lack the incorporation of domain-specific knowledge, which limits their performance in cancer diagnosis, especially for rare tumor subtypes. To address this limitation, we establish a Knowledge-enhanced Pathology (KEEP) foundation model that harnesses disease knowledge to facilitate vision-language pre-training. Specifically, we first construct a disease knowledge graph (KG) that covers 11,454 human diseases with 139,143 disease attributes, including synonyms, definitions, and hypernym relations. We then systematically reorganize the millions of publicly available noisy pathology image-text pairs, into 143K well-structured semantic groups linked through the hierarchical relations of the disease KG. To derive more nuanced image and text representations, we propose a novel knowledge-enhanced vision-language pre-training approach that integrates disease knowledge into the alignment within hierarchical semantic groups instead of unstructured image-text pairs. Validated on 18 diverse benchmarks with more than 14,000 whole slide images (WSIs), KEEP achieves state-of-the-art performance in zero-shot cancer diagnostic tasks. Notably, for cancer detection, KEEP demonstrates an average sensitivity of 89.8% at a specificity of 95.0% across 7 cancer types. For cancer subtyping, KEEP achieves a median balanced accuracy of 0.456 in subtyping 30 rare brain cancers, indicating strong generalizability for diagnosing rare tumors.

  • 11 authors
·
Dec 17, 2024

OpenLearnLM Benchmark: A Unified Framework for Evaluating Knowledge, Skill, and Attitude in Educational Large Language Models

Large Language Models are increasingly deployed as educational tools, yet existing benchmarks focus on narrow skills and lack grounding in learning sciences. We introduce OpenLearnLM Benchmark, a theory-grounded framework evaluating LLMs across three dimensions derived from educational assessment theory: Knowledge (curriculum-aligned content and pedagogical understanding), Skills (scenario-based competencies organized through a four-level center-role-scenario-subscenario hierarchy), and Attitude (alignment consistency and deception resistance). Our benchmark comprises 124K+ items spanning multiple subjects, educational roles, and difficulty levels based on Bloom's taxonomy. The Knowledge domain prioritizes authentic assessment items from established benchmarks, while the Attitude domain adapts Anthropic's Alignment Faking methodology to detect behavioral inconsistency under varying monitoring conditions. Evaluation of seven frontier models reveals distinct capability profiles: Claude-Opus-4.5 excels in practical skills despite lower content knowledge, while Grok-4.1-fast leads in knowledge but shows alignment concerns. Notably, no single model dominates all dimensions, validating the necessity of multi-axis evaluation. OpenLearnLM provides an open, comprehensive framework for advancing LLM readiness in authentic educational contexts.

  • 14 authors
·
Jan 19

Expanding Scene Graph Boundaries: Fully Open-vocabulary Scene Graph Generation via Visual-Concept Alignment and Retention

Scene Graph Generation (SGG) offers a structured representation critical in many computer vision applications. Traditional SGG approaches, however, are limited by a closed-set assumption, restricting their ability to recognize only predefined object and relation categories. To overcome this, we categorize SGG scenarios into four distinct settings based on the node and edge: Closed-set SGG, Open Vocabulary (object) Detection-based SGG (OvD-SGG), Open Vocabulary Relation-based SGG (OvR-SGG), and Open Vocabulary Detection + Relation-based SGG (OvD+R-SGG). While object-centric open vocabulary SGG has been studied recently, the more challenging problem of relation-involved open-vocabulary SGG remains relatively unexplored. To fill this gap, we propose a unified framework named OvSGTR towards fully open vocabulary SGG from a holistic view. The proposed framework is an end-toend transformer architecture, which learns a visual-concept alignment for both nodes and edges, enabling the model to recognize unseen categories. For the more challenging settings of relation-involved open vocabulary SGG, the proposed approach integrates relation-aware pre-training utilizing image-caption data and retains visual-concept alignment through knowledge distillation. Comprehensive experimental results on the Visual Genome benchmark demonstrate the effectiveness and superiority of the proposed framework.

  • 5 authors
·
Nov 18, 2023

MIMO: Multilingual Information Retrieval via Monolingual Objectives

Multilingual Information Retrieval (MLIR) reflects real-world search environments in which queries and relevant documents may appear in different languages within a mixed-language corpus. However, existing embedding models are primarily optimized for Multi-Monolingual retrieval and their performance often degrades in MLIR settings. Moreover, directly applying conventional contrastive learning to MLIR can exacerbate language clustering and expose a trade-off between cross-lingual alignment and embedding uniformity. To address these limitations, we propose MIMO: Multilingual Information Retrieval via Monolingual Objectives, a two-stage framework that uses a stable English semantic space from a high-performing teacher model as an anchor. MIMO first initializes the student model's cross-lingual alignment through knowledge distillation, and then jointly optimizes distillation and cross-lingual contrastive learning to improve retrieval discrimination while preserving alignment. Extensive experiments show that MIMO consistently outperforms existing cross-lingual training baselines across various MLIR and Multi-Monolingual benchmarks. MIMO also remains competitive with off-the-shelf models of similar or larger parameter scales. Furthermore, our cross-lingual Alignment-Uniformity analysis clarifies the distinct roles of the two loss components and shows that their combination yields a favorable trade-off between alignment and uniformity.

  • 3 authors
·
May 28

COFAR: Commonsense and Factual Reasoning in Image Search

One characteristic that makes humans superior to modern artificially intelligent models is the ability to interpret images beyond what is visually apparent. Consider the following two natural language search queries - (i) "a queue of customers patiently waiting to buy ice cream" and (ii) "a queue of tourists going to see a famous Mughal architecture in India." Interpreting these queries requires one to reason with (i) Commonsense such as interpreting people as customers or tourists, actions as waiting to buy or going to see; and (ii) Fact or world knowledge associated with named visual entities, for example, whether the store in the image sells ice cream or whether the landmark in the image is a Mughal architecture located in India. Such reasoning goes beyond just visual recognition. To enable both commonsense and factual reasoning in the image search, we present a unified framework, namely Knowledge Retrieval-Augmented Multimodal Transformer (KRAMT), that treats the named visual entities in an image as a gateway to encyclopedic knowledge and leverages them along with natural language query to ground relevant knowledge. Further, KRAMT seamlessly integrates visual content and grounded knowledge to learn alignment between images and search queries. This unified framework is then used to perform image search requiring commonsense and factual reasoning. The retrieval performance of KRAMT is evaluated and compared with related approaches on a new dataset we introduce - namely COFAR. We make our code and dataset available at https://vl2g.github.io/projects/cofar

  • 6 authors
·
Oct 16, 2022

Unleashing Vision-Language Semantics for Deepfake Video Detection

Recent Deepfake Video Detection (DFD) studies have demonstrated that pre-trained Vision-Language Models (VLMs) such as CLIP exhibit strong generalization capabilities in detecting artifacts across different identities. However, existing approaches focus on leveraging visual features only, overlooking their most distinctive strength -- the rich vision-language semantics embedded in the latent space. We propose VLAForge, a novel DFD framework that unleashes the potential of such cross-modal semantics to enhance model's discriminability in deepfake detection. This work i) enhances the visual perception of VLM through a ForgePerceiver, which acts as an independent learner to capture diverse, subtle forgery cues both granularly and holistically, while preserving the pretrained Vision-Language Alignment (VLA) knowledge, and ii) provides a complementary discriminative cue -- Identity-Aware VLA score, derived by coupling cross-modal semantics with the forgery cues learned by ForgePerceiver. Notably, the VLA score is augmented by an identity prior-informed text prompting to capture authenticity cues tailored to each identity, thereby enabling more discriminative cross-modal semantics. Comprehensive experiments on video DFD benchmarks, including classical face-swapping forgeries and recent full-face generation forgeries, demonstrate that our VLAForge substantially outperforms state-of-the-art methods at both frame and video levels. Code is available at https://github.com/mala-lab/VLAForge.

  • 5 authors
·
Mar 24

Re-mine, Learn and Reason: Exploring the Cross-modal Semantic Correlations for Language-guided HOI detection

Human-Object Interaction (HOI) detection is a challenging computer vision task that requires visual models to address the complex interactive relationship between humans and objects and predict HOI triplets. Despite the challenges posed by the numerous interaction combinations, they also offer opportunities for multimodal learning of visual texts. In this paper, we present a systematic and unified framework (RmLR) that enhances HOI detection by incorporating structured text knowledge. Firstly, we qualitatively and quantitatively analyze the loss of interaction information in the two-stage HOI detector and propose a re-mining strategy to generate more comprehensive visual representation.Secondly, we design more fine-grained sentence- and word-level alignment and knowledge transfer strategies to effectively address the many-to-many matching problem between multiple interactions and multiple texts.These strategies alleviate the matching confusion problem that arises when multiple interactions occur simultaneously, thereby improving the effectiveness of the alignment process. Finally, HOI reasoning by visual features augmented with textual knowledge substantially improves the understanding of interactions. Experimental results illustrate the effectiveness of our approach, where state-of-the-art performance is achieved on public benchmarks. We further analyze the effects of different components of our approach to provide insights into its efficacy.

  • 7 authors
·
Jul 25, 2023

Knowledge-Level Consistency Reinforcement Learning: Dual-Fact Alignment for Long-Form Factuality

Hallucination and factuality deficits remain key obstacles to the reliability of large language models (LLMs) in long-form generation. Existing reinforcement learning from human feedback (RLHF) frameworks primarily rely on preference rewards, yet they often overlook the model's internal knowledge boundaries, exacerbating the so-called "hallucination tax". To address this challenge, we propose Knowledge-Level Consistency Reinforcement Learning Framework (KLCF), a novel framework that focuses on the knowledge consistency between the policy model's expressed knowledge and the base model's parametric knowledge, and introduces a Dual-Fact Alignment mechanism to jointly optimize factual recall and precision. Specifically, KLCF leverages pretrained knowledge boundaries to construct fact checklist, guiding online reinforcement learning to improve factual coverage and recall; simultaneously, it trains a self-assessment module based on the base model's internal knowledge to enhance factual precision during generation. Unlike prior methods that rely on external retrieval or heavy verification, our reward design is fully external-knowledge-free and lightweight, making KLCF efficient and easily scalable to large-scale training. Experimental results demonstrate that KLCF substantially improves factuality metrics across multiple long-form benchmarks and effectively alleviates model hallucinations.

baidu BAIDU
·
Sep 28, 2025

SOSBENCH: Benchmarking Safety Alignment on Scientific Knowledge

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 79.1% for Deepseek-R1 and 47.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.

  • 10 authors
·
May 27, 2025

Geometric Knowledge-Guided Localized Global Distribution Alignment for Federated Learning

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

  • 4 authors
·
Mar 9, 2025

Alt-MoE:A Scalable Framework for Bidirectional Multimodal Alignment and Efficient Knowledge Integration

Multimodal learning has advanced significantly by aligning different modalities within shared latent spaces, enabling tasks such as cross-modal understanding and generation. Current alignment strategies in multimodal learning primarily include direct alignment using pre-trained or unified encoders and single-directional alignment via modality-specific connectors. Direct alignment struggles to fully leverage rich intra-modal knowledge, often requiring extensive training data to achieve cross-modal representation. Meanwhile, single-directional alignment methods, despite leveraging pre-trained knowledge, restrict task adaptability and hinder the model's ability to capture bidirectional relationships, leading to incomplete knowledge fusion and underutilization of complementary modality-specific information. To address these limitations, we introduce Alt-MoE, a scalable multimodal alignment framework that employs a mixture of experts (MoE) model as a multi-directional connector across modalities. By utilizing a sequential alternating one-way alignment strategy, Alt-MoE iteratively refines the model to achieve bidirectional alignment. Alt-MoE operates in latent space, enabling efficient vector pre-storage and real-time retrieval via MoE, optimizing large-scale data processing. Extensive empirical studies demonstrate that Alt-MoE achieves competitive performance on cross-modal retrieval and visual question answering by integrating diverse modality-specific knowledge, generalizing to unseen data, and easily scaling to new tasks and modalities through dynamic adjustment of MoE capacity and expert activation.

  • 11 authors
·
Sep 9, 2024

Mix-CPT: A Domain Adaptation Framework via Decoupling Knowledge Learning and Format Alignment

Adapting general large language models (LLMs) to specialized domains presents great challenges due to varied data distributions. This adaptation typically requires continual pre-training on massive domain-specific corpora to facilitate knowledge memorization, followed by training to apply this knowledge following human instructions and preferences. However, this method may result in inefficient knowledge memorization due to a lack of awareness of knowledge utilization and imposes substantial demands on LLMs to simultaneously learn knowledge utilization and format alignment with limited training samples. To facilitate the domain adaptation of LLM, we revise this process and propose a new domain adaptation framework including domain knowledge learning and general format alignment, called Mix-CPT. Specifically, we first conduct a knowledge mixture continual pre-training that concurrently focuses on knowledge memorization and utilization, allowing for mutual reinforcement. To avoid catastrophic forgetting during the continual pre-training process, we further incorporate a logit swap self-distillation constraint. Subsequently, leveraging the knowledge and capabilities acquired during continual pre-training, we efficiently perform instruction tuning and alignment with a few general training samples to achieve format alignment. Extensive experiments demonstrate that our proposed Mix-CPT framework can simultaneously improve the task-solving capabilities of LLMs on the target and general domains compared to the traditional adaptation methods.

  • 6 authors
·
Jul 15, 2024

LoRAMoE: Revolutionizing Mixture of Experts for Maintaining World Knowledge in Language Model Alignment

Supervised fine-tuning (SFT) is a crucial step for large language models (LLMs), enabling them to align with human instructions and enhance their capabilities in downstream tasks. When the models are required to align with a broader range of downstream tasks, or there is a desire to notably improve the performance on a specific task, a substantial increase in fine-tuning data often emerges as the solution. However, we find that large-scale increases in instruction data can disrupt the world knowledge previously stored in the LLMs, i.e., world knowledge forgetting. In this paper, we introduce LoRAMoE to address the above challenge. The LoRAMoE is a plugin version of Mixture of Experts (MoE). The plugin form ensures the integrity of world knowledge by freezing the backbone model during the training phase. We then propose the use of localized balancing constraints to coordinate parts of experts for task utilization, meanwhile enabling other experts to fully leverage the world knowledge stored in the models. Experimental results demonstrate that LoRAMoE can reasonably coordinate experts based on data type during inference, and even dramatically increasing instruction data does not result in knowledge forgetting. Moreover, LoRAMoE provides additional benefits for the performance of downstream tasks, indicating the potential of our approach for multi-task learning.

  • 16 authors
·
Dec 15, 2023

AMBEDKAR-A Multi-level Bias Elimination through a Decoding Approach with Knowledge Augmentation for Robust Constitutional Alignment of Language Models

Large Language Models (LLMs) can inadvertently reflect societal biases present in their training data, leading to harmful or prejudiced outputs. In the Indian context, our empirical evaluations across a suite of models reveal that biases around caste and religion are particularly salient. Yet, most existing mitigation strategies are Western-centric and fail to address these local nuances. We propose AMBEDKAR, a framework inspired by the egalitarian vision of Dr B. R. Ambedkar, architect of the Indian Constitution, to guide LLM outputs toward fairness, neutrality, and inclusion in line with Articles 14 to 17. Our approach introduces a Constitution-Aware Decoding Layer, guided by the AI Constitution of India and applied only at inference time, without any parameter updates to the base model. We incorporate a speculative decoding algorithm that proactively reduces casteist and communal bias during generation. This mitigation layer operates directly within the decoding process, avoiding changes to model internals and lowering the computational and infrastructural costs associated with retraining. We reinterpret speculative decoding not merely as an efficiency tool but as a mechanism for fairness. In this framework, a Small Language Model (SLM) acts as a potentially biased generator, while a constitutionally guided Large Language Model (LLM) serves as the verifier. Rather than accelerating generation, the LLM enforces bias-robust trajectories in the SLM outputs. This inversion of roles gives rise to a fairness-by-speculation paradigm. Our approach yields an absolute reduction of bias up to 26.41 percent compared to baseline. Our source code, datasets, and results are available at https://anonymous.4open.science/r/AMBEDKAR-983B/

  • 8 authors
·
Sep 2, 2025 1

Beyond Next-Token Alignment: Distilling Multimodal Large Language Models via Token Interactions

Multimodal Large Language Models (MLLMs) demonstrate impressive cross-modal capabilities, yet their substantial size poses significant deployment challenges. Knowledge distillation (KD) is a promising solution for compressing these models, but existing methods primarily rely on static next-token alignment, neglecting the dynamic token interactions, which embed essential capabilities for multimodal understanding and generation. To this end, we introduce Align-TI, a novel KD framework designed from the perspective of Token Interactions. Our approach is motivated by the insight that MLLMs rely on two primary interactions: vision-instruction token interactions to extract relevant visual information, and intra-response token interactions for coherent generation. Accordingly, Align-TI introduces two components: IVA enables the student model to imitate the teacher's instruction-relevant visual information extract capability by aligning on salient visual regions. TPA captures the teacher's dynamic generative logic by aligning the sequential token-to-token transition probabilities. Extensive experiments demonstrate Align-TI's superiority. Notably, our approach achieves 2.6% relative improvement over Vanilla KD, and our distilled Align-TI-2B even outperforms LLaVA-1.5-7B (a much larger MLLM) by 7.0%, establishing a new state-of-the-art distillation framework for training parameter-efficient MLLMs. Code is available at https://github.com/lchen1019/Align-TI.

  • 12 authors
·
Feb 10

On the Alignment of Large Language Models with Global Human Opinion

Today's large language models (LLMs) are capable of supporting multilingual scenarios, allowing users to interact with LLMs in their native languages. When LLMs respond to subjective questions posed by users, they are expected to align with the views of specific demographic groups or historical periods, shaped by the language in which the user interacts with the model. Existing studies mainly focus on researching the opinions represented by LLMs among demographic groups in the United States or a few countries, lacking worldwide country samples and studies on human opinions in different historical periods, as well as lacking discussion on using language to steer LLMs. Moreover, they also overlook the potential influence of prompt language on the alignment of LLMs' opinions. In this study, our goal is to fill these gaps. To this end, we create an evaluation framework based on the World Values Survey (WVS) to systematically assess the alignment of LLMs with human opinions across different countries, languages, and historical periods around the world. We find that LLMs appropriately or over-align the opinions with only a few countries while under-aligning the opinions with most countries. Furthermore, changing the language of the prompt to match the language used in the questionnaire can effectively steer LLMs to align with the opinions of the corresponding country more effectively than existing steering methods. At the same time, LLMs are more aligned with the opinions of the contemporary population. To our knowledge, our study is the first comprehensive investigation of the topic of opinion alignment in LLMs across global, language, and temporal dimensions. Our code and data are publicly available at https://github.com/ku-nlp/global-opinion-alignment and https://github.com/nlply/global-opinion-alignment.

  • 3 authors
·
Nov 18, 2025

LEAF: Knowledge Distillation of Text Embedding Models with Teacher-Aligned Representations

We present LEAF ("Lightweight Embedding Alignment Framework"), a knowledge distillation framework for text embedding models. A key distinguishing feature is that our distilled leaf models are aligned to their teacher. In the context of information retrieval, this allows for flexible asymmetric architectures where documents are encoded with the larger teacher model, while queries can be served with the smaller leaf models. We also show that leaf models automatically inherit MRL and robustness to output quantization whenever these properties are present in the teacher model, without explicitly training for them. To demonstrate the capability of our framework we publish leaf-ir, a 23M parameters information retrieval oriented text embedding model trained using LEAF, which sets a new state-of-the-art (SOTA) on BEIR, ranking #1 on the public leaderboard for this benchmark and for models of its size. When run in asymmetric mode, its retrieval performance is further increased. Our scheme is however not restricted to the information retrieval setting, and we demonstrate its wider applicability by synthesizing the multi-task leaf-mt model. This also sets a new SOTA, ranking #1 on the public MTEB v2 (English) leaderboard for its size. LEAF is applicable to black-box models and in contrast to other embedding model training frameworks, it does not require judgments nor hard negatives, and training can be conducted using small batch sizes. Thus, dataset and training infrastructure requirements for our framework are modest. We make our models publicly available under a permissive Apache 2.0 license.

  • 2 authors
·
Sep 15, 2025

An Efficient Knowledge Transfer Strategy for Spiking Neural Networks from Static to Event Domain

Spiking neural networks (SNNs) are rich in spatio-temporal dynamics and are suitable for processing event-based neuromorphic data. However, event-based datasets are usually less annotated than static datasets. This small data scale makes SNNs prone to overfitting and limits their performance. In order to improve the generalization ability of SNNs on event-based datasets, we use static images to assist SNN training on event data. In this paper, we first discuss the domain mismatch problem encountered when directly transferring networks trained on static datasets to event data. We argue that the inconsistency of feature distributions becomes a major factor hindering the effective transfer of knowledge from static images to event data. To address this problem, we propose solutions in terms of two aspects: feature distribution and training strategy. Firstly, we propose a knowledge transfer loss, which consists of domain alignment loss and spatio-temporal regularization. The domain alignment loss learns domain-invariant spatial features by reducing the marginal distribution distance between the static image and the event data. Spatio-temporal regularization provides dynamically learnable coefficients for domain alignment loss by using the output features of the event data at each time step as a regularization term. In addition, we propose a sliding training strategy, which gradually replaces static image inputs probabilistically with event data, resulting in a smoother and more stable training for the network. We validate our method on neuromorphic datasets, including N-Caltech101, CEP-DVS, and N-Omniglot. The experimental results show that our proposed method achieves better performance on all datasets compared to the current state-of-the-art methods. Code is available at https://github.com/Brain-Cog-Lab/Transfer-for-DVS.

  • 6 authors
·
Mar 23, 2023

WALL-E: World Alignment by Rule Learning Improves World Model-based LLM Agents

Can large language models (LLMs) directly serve as powerful world models for model-based agents? While the gaps between the prior knowledge of LLMs and the specified environment's dynamics do exist, our study reveals that the gaps can be bridged by aligning an LLM with its deployed environment and such "world alignment" can be efficiently achieved by rule learning on LLMs. Given the rich prior knowledge of LLMs, only a few additional rules suffice to align LLM predictions with the specified environment dynamics. To this end, we propose a neurosymbolic approach to learn these rules gradient-free through LLMs, by inducing, updating, and pruning rules based on comparisons of agent-explored trajectories and world model predictions. The resulting world model is composed of the LLM and the learned rules. Our embodied LLM agent "WALL-E" is built upon model-predictive control (MPC). By optimizing look-ahead actions based on the precise world model, MPC significantly improves exploration and learning efficiency. Compared to existing LLM agents, WALL-E's reasoning only requires a few principal rules rather than verbose buffered trajectories being included in the LLM input. On open-world challenges in Minecraft and ALFWorld, WALL-E achieves higher success rates than existing methods, with lower costs on replanning time and the number of tokens used for reasoning. In Minecraft, WALL-E exceeds baselines by 15-30% in success rate while costing 8-20 fewer replanning rounds and only 60-80% of tokens. In ALFWorld, its success rate surges to a new record high of 95% only after 6 iterations.

  • 7 authors
·
Oct 9, 2024 3

WALL-E 2.0: World Alignment by NeuroSymbolic Learning improves World Model-based LLM Agents

Can we build accurate world models out of large language models (LLMs)? How can world models benefit LLM agents? The gap between the prior knowledge of LLMs and the specified environment's dynamics usually bottlenecks LLMs' performance as world models. To bridge the gap, we propose a training-free "world alignment" that learns an environment's symbolic knowledge complementary to LLMs. The symbolic knowledge covers action rules, knowledge graphs, and scene graphs, which are extracted by LLMs from exploration trajectories and encoded into executable codes to regulate LLM agents' policies. We further propose an RL-free, model-based agent "WALL-E 2.0" through the model-predictive control (MPC) framework. Unlike classical MPC requiring costly optimization on the fly, we adopt an LLM agent as an efficient look-ahead optimizer of future steps' actions by interacting with the neurosymbolic world model. While the LLM agent's strong heuristics make it an efficient planner in MPC, the quality of its planned actions is also secured by the accurate predictions of the aligned world model. They together considerably improve learning efficiency in a new environment. On open-world challenges in Mars (Minecraft like) and ALFWorld (embodied indoor environments), WALL-E 2.0 significantly outperforms existing methods, e.g., surpassing baselines in Mars by 16.1%-51.6% of success rate and by at least 61.7% in score. In ALFWorld, it achieves a new record 98% success rate after only 4 iterations.

  • 7 authors
·
Apr 22, 2025 4

ORCE: Order-Aware Alignment of Verbalized Confidence in Large Language Models

Large language models (LLMs) often produce answers with high certainty even when they are incorrect, making reliable confidence estimation essential for deployment in real-world scenarios. Verbalized confidence, where models explicitly state their confidence in natural language, provides a flexible and user-facing uncertainty signal that can be applied even when token logits are unavailable. However, existing verbalized-confidence methods often optimize answer generation and confidence generation jointly, which can cause confidence-alignment objectives to interfere with answer accuracy. In this work, we propose a decoupled and order-aware framework for verbalized confidence calibration. Our method first generates an answer and then estimates confidence conditioned on the fixed question--answer pair, allowing confidence optimization without directly perturbing the answer-generation process. To align confidence with correctness likelihood, we construct a sampling-based surrogate from multiple model completions and optimize rank-based reinforcement learning objectives that encourage responses with higher estimated correctness likelihood to receive higher verbalized confidence. Experiments on reasoning and knowledge-intensive benchmarks show that our method improves calibration and failure prediction performance while largely preserving answer accuracy. These results demonstrate that verbalized confidence can be more reliably aligned by decoupling confidence estimation from answer generation and optimizing the relative ordering of confidence across responses.

  • 5 authors
·
May 11

Improving Knowledge Distillation via Regularizing Feature Norm and Direction

Knowledge distillation (KD) exploits a large well-trained model (i.e., teacher) to train a small student model on the same dataset for the same task. Treating teacher features as knowledge, prevailing methods of knowledge distillation train student by aligning its features with the teacher's, e.g., by minimizing the KL-divergence between their logits or L2 distance between their intermediate features. While it is natural to believe that better alignment of student features to the teacher better distills teacher knowledge, simply forcing this alignment does not directly contribute to the student's performance, e.g., classification accuracy. In this work, we propose to align student features with class-mean of teacher features, where class-mean naturally serves as a strong classifier. To this end, we explore baseline techniques such as adopting the cosine distance based loss to encourage the similarity between student features and their corresponding class-means of the teacher. Moreover, we train the student to produce large-norm features, inspired by other lines of work (e.g., model pruning and domain adaptation), which find the large-norm features to be more significant. Finally, we propose a rather simple loss term (dubbed ND loss) to simultaneously (1) encourage student to produce large-norm features, and (2) align the direction of student features and teacher class-means. Experiments on standard benchmarks demonstrate that our explored techniques help existing KD methods achieve better performance, i.e., higher classification accuracy on ImageNet and CIFAR100 datasets, and higher detection precision on COCO dataset. Importantly, our proposed ND loss helps the most, leading to the state-of-the-art performance on these benchmarks. The source code is available at https://github.com/WangYZ1608/Knowledge-Distillation-via-ND.

  • 6 authors
·
May 26, 2023

AdaSPEC: Selective Knowledge Distillation for Efficient Speculative Decoders

Speculative Decoding (SD) accelerates large language model inference by employing a small draft model to generate predictions, which are then verified by a larger target model. The effectiveness of SD hinges on the alignment between these models, which is typically enhanced by Knowledge Distillation (KD). However, conventional KD methods aim to minimize the KL divergence between the draft and target models across all tokens, a goal that is misaligned with the true objective of SD, which is to maximize token acceptance rate. Therefore, draft models often struggle to fully assimilate the target model's knowledge due to capacity constraints, leading to suboptimal performance. To address this challenge, we propose AdaSPEC, a novel method that incorporates selective token filtering into the KD process. AdaSPEC utilizes a reference model to identify and filter out difficult-to-fit tokens, enabling the distillation of a draft model that better aligns with the target model on simpler tokens. This approach improves the overall token acceptance rate without compromising generation quality. We evaluate AdaSPEC across diverse tasks, including arithmetic reasoning, instruction-following, coding, and summarization, using model configurations of 31M/1.4B and 350M/2.7B parameters. Our results demonstrate that AdaSPEC consistently outperforms the state-of-the-art DistillSpec method, achieving higher acceptance rates across all tasks (up to 15\%). The code is publicly available at https://github.com/yuezhouhu/adaspec.

VideoREPA: Learning Physics for Video Generation through Relational Alignment with Foundation Models

Recent advancements in text-to-video (T2V) diffusion models have enabled high-fidelity and realistic video synthesis. However, current T2V models often struggle to generate physically plausible content due to their limited inherent ability to accurately understand physics. We found that while the representations within T2V models possess some capacity for physics understanding, they lag significantly behind those from recent video self-supervised learning methods. To this end, we propose a novel framework called VideoREPA, which distills physics understanding capability from video understanding foundation models into T2V models by aligning token-level relations. This closes the physics understanding gap and enable more physics-plausible generation. Specifically, we introduce the Token Relation Distillation (TRD) loss, leveraging spatio-temporal alignment to provide soft guidance suitable for finetuning powerful pre-trained T2V models, a critical departure from prior representation alignment (REPA) methods. To our knowledge, VideoREPA is the first REPA method designed for finetuning T2V models and specifically for injecting physical knowledge. Empirical evaluations show that VideoREPA substantially enhances the physics commonsense of baseline method, CogVideoX, achieving significant improvement on relevant benchmarks and demonstrating a strong capacity for generating videos consistent with intuitive physics. More video results are available at https://videorepa.github.io/.

  • 7 authors
·
May 29, 2025 2

ETVA: Evaluation of Text-to-Video Alignment via Fine-grained Question Generation and Answering

Precisely evaluating semantic alignment between text prompts and generated videos remains a challenge in Text-to-Video (T2V) Generation. Existing text-to-video alignment metrics like CLIPScore only generate coarse-grained scores without fine-grained alignment details, failing to align with human preference. To address this limitation, we propose ETVA, a novel Evaluation method of Text-to-Video Alignment via fine-grained question generation and answering. First, a multi-agent system parses prompts into semantic scene graphs to generate atomic questions. Then we design a knowledge-augmented multi-stage reasoning framework for question answering, where an auxiliary LLM first retrieves relevant common-sense knowledge (e.g., physical laws), and then video LLM answers the generated questions through a multi-stage reasoning mechanism. Extensive experiments demonstrate that ETVA achieves a Spearman's correlation coefficient of 58.47, showing a much higher correlation with human judgment than existing metrics which attain only 31.0. We also construct a comprehensive benchmark specifically designed for text-to-video alignment evaluation, featuring 2k diverse prompts and 12k atomic questions spanning 10 categories. Through a systematic evaluation of 15 existing text-to-video models, we identify their key capabilities and limitations, paving the way for next-generation T2V generation.

  • 8 authors
·
Mar 21, 2025 2

BayLing: Bridging Cross-lingual Alignment and Instruction Following through Interactive Translation for Large Language Models

Large language models (LLMs) have demonstrated remarkable prowess in language understanding and generation. Advancing from foundation LLMs to instructionfollowing LLMs, instruction tuning plays a vital role in aligning LLMs to human preferences. However, the existing LLMs are usually focused on English, leading to inferior performance in non-English languages. In order to improve the performance for non-English languages, it is necessary to collect language-specific training data for foundation LLMs and construct language-specific instructions for instruction tuning, both of which are heavy loads. To minimize human workload, we propose to transfer the capabilities of language generation and instruction following from English to other languages through an interactive translation task. We have developed BayLing, an instruction-following LLM by utilizing LLaMA as the foundation LLM and automatically constructing interactive translation instructions for instructing tuning. Extensive assessments demonstrate that BayLing achieves comparable performance to GPT-3.5-turbo, despite utilizing a considerably smaller parameter size of only 13 billion. Experimental results on translation tasks show that BayLing achieves 95% of single-turn translation capability compared to GPT-4 with automatic evaluation and 96% of interactive translation capability compared to GPT-3.5-turbo with human evaluation. To estimate the performance on general tasks, we created a multi-turn instruction test set called BayLing-80. The experimental results on BayLing-80 indicate that BayLing achieves 89% of performance compared to GPT-3.5-turbo. BayLing also demonstrates outstanding performance on knowledge assessment of Chinese GaoKao and English SAT, second only to GPT-3.5-turbo among a multitude of instruction-following LLMs. Demo, homepage, code and models of BayLing are available.

  • 11 authors
·
Jun 19, 2023

Understand What LLM Needs: Dual Preference Alignment for Retrieval-Augmented Generation

Retrieval-augmented generation (RAG) has demonstrated effectiveness in mitigating the hallucination problem of large language models (LLMs). However, the difficulty of aligning the retriever with the diverse LLMs' knowledge preferences inevitably poses an inevitable challenge in developing a reliable RAG system. To address this issue, we propose DPA-RAG, a universal framework designed to align diverse knowledge preferences within RAG systems. Specifically, we initially introduce a preference knowledge construction pipline and incorporate five novel query augmentation strategies to alleviate preference data scarcity. Based on preference data, DPA-RAG accomplishes both external and internal preference alignment: 1) It jointly integrate pair-wise, point-wise, and contrastive preference alignment abilities into the reranker, achieving external preference alignment among RAG components. 2) It further introduces a pre-aligned stage before vanilla Supervised Fine-tuning (SFT), enabling LLMs to implicitly capture knowledge aligned with their reasoning preferences, achieving LLMs' internal alignment. Experimental results across four knowledge-intensive QA datasets demonstrate that DPA-RAG outperforms all baselines and seamlessly integrates both black-box and open-sourced LLM readers. Further qualitative analysis and discussions also provide empirical guidance for achieving reliable RAG systems. Our code is publicly available at https://github.com/dongguanting/DPA-RAG.

  • 6 authors
·
Jun 26, 2024 5

GeoCLIP: Clip-Inspired Alignment between Locations and Images for Effective Worldwide Geo-localization

Worldwide Geo-localization aims to pinpoint the precise location of images taken anywhere on Earth. This task has considerable challenges due to immense variation in geographic landscapes. The image-to-image retrieval-based approaches fail to solve this problem on a global scale as it is not feasible to construct a large gallery of images covering the entire world. Instead, existing approaches divide the globe into discrete geographic cells, transforming the problem into a classification task. However, their performance is limited by the predefined classes and often results in inaccurate localizations when an image's location significantly deviates from its class center. To overcome these limitations, we propose GeoCLIP, a novel CLIP-inspired Image-to-GPS retrieval approach that enforces alignment between the image and its corresponding GPS locations. GeoCLIP's location encoder models the Earth as a continuous function by employing positional encoding through random Fourier features and constructing a hierarchical representation that captures information at varying resolutions to yield a semantically rich high-dimensional feature suitable to use even beyond geo-localization. To the best of our knowledge, this is the first work employing GPS encoding for geo-localization. We demonstrate the efficacy of our method via extensive experiments and ablations on benchmark datasets. We achieve competitive performance with just 20% of training data, highlighting its effectiveness even in limited-data settings. Furthermore, we qualitatively demonstrate geo-localization using a text query by leveraging CLIP backbone of our image encoder. The project webpage is available at: https://vicentevivan.github.io/GeoCLIP

  • 3 authors
·
Sep 27, 2023

Bridging Expert Knowledge and Automated Feature Engineering via Self-Evolution

In high-stakes settings such as brand compliance, clinical care, and content moderation, machine learning cannot be deployed as opaque oracles: practitioners inspect the features driving model decisions, and models must leverage the expert documentation governing these domains. In practice, the data arrives as unstructured content, and features extracted from it must be interpretable, discriminative, and aligned with what experts consider important. Existing methods fall short: they target tabular inputs, lack demonstrated expert alignment, and cannot operationalize qualitative criteria such as 'maintain professional tone' into precise features. We present FEST (Feature Engineering with Self-evolving Trees), combining dual-stream feature generation (semantic and deterministic), semantic deduplication, and tree-guided iterative evolution to discover auditable features from raw text and images. FEST leads in 17 of 20 classifier-task combinations across brand classification, content authenticity detection, and stress detection, with a mean gain of 4.2 pp over the strongest baseline across five classifiers. An LLM-as-judge evaluation shows FEST achieves 60-80% coverage of expert-designed brand features at strict semantic-alignment thresholds, corroborated by a human expert study rating features highly on relevance, clarity, and actionability. When seeded with expert guidelines, FEST refines qualitative criteria into operational features, improving accuracy by 6-12 pp on average across brands. To enable systematic evaluation of expert alignment in automated feature engineering, we release BrandGuide, the first dataset pairing expert-designed features with 1M+ assets across 2,683 brands. By grounding feature engineering in expert knowledge, FEST opens a practical pathway for interpretable ML in domains demanding human oversight.

  • 6 authors
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Jun 6

Convex Optimization for Alignment and Preference Learning on a Single GPU

Fine-tuning large language models (LLMs) to align with human preferences has driven the success of systems such as Gemini and ChatGPT. However, approaches like Reinforcement Learning from Human Feedback (RLHF) remain computationally expensive and complex. Direct Preference Optimization (DPO) offers a simpler alternative but has limitations such as inconsistent ranking accuracy, high dependence on GPU resources, and expensive hyperparameter tuning. We propose the Convex Optimization for Alignment and Preference Learning Algorithm (COALA): a novel lightweight strategy with strong theoretical guarantees. By leveraging the convex optimization reformulation of neural networks, COALA eliminates the need for a reference model and obtains significant reduction in both training time and VRAM consumption, thus enabling efficient training on a single GPU. Experiments across four datasets--including a 26621-sample synthetic Educational Feedback dataset--and six models (including Llama-3.1-8B) demonstrate COALA's competitive performance and efficiency while utilizing as little as ~17.6% of DPO's total TFLOPs. COALA exhibits stable, monotonically increasing rewards and reaches peak margins in significantly shorter time in comparison to traditional methods such as DPO and ORPO. To the best of our knowledge, this is the first time convex optimization has been effectively applied to preference fine-tuning of LLMs.

  • 2 authors
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May 21

Reason to Play: Behavioral and Brain Alignment Between Frontier LRMs and Human Game Learners

Humans rapidly learn abstract knowledge when encountering novel environments and flexibly deploy this knowledge to guide efficient and intelligent action. Can modern AI systems learn and plan in a similar way? We study this question using a dataset of complex human gameplay with concurrent fMRI recordings, in which participants learn novel video games that require rule discovery, hypothesis revision, and multi-step planning. We jointly evaluate models by their ability to play the games, match human learning behavior, and predict brain activity during the same task, comparing a suite of frontier Large Reasoning Models (LRMs) against model-free and model-based deep reinforcement learning agents and a Bayesian theory-based agent. We find that frontier LRMs most closely match human behavioral patterns during game discovery and predict brain activity an order of magnitude better than both reinforcement learning alternatives across cortical and subcortical regions, with effects robust to permutation controls. Through targeted manipulations, we further show that brain alignment reflects the model's in-context representation of the game state rather than its downstream planning or reasoning. Our results establish LRMs as compelling computational accounts of human learning and decision making in complex, naturalistic environments. Project page with interactive replays: https://botcs.github.io/reason-to-play/

  • 9 authors
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May 7

CATNIP: LLM Unlearning via Calibrated and Tokenized Negative Preference Alignment

Pretrained knowledge memorized in LLMs raises critical concerns over safety and privacy, which has motivated LLM Unlearning as a technique for selectively removing the influences of undesirable knowledge. Existing approaches, rooted in Gradient Ascent (GA), often degrade general domain knowledge while relying on retention data or curated contrastive pairs, which can be either impractical or data and computationally prohibitive. Negative Preference Alignment has been explored for unlearning to tackle the limitations of GA, which, however, remains confined by its choice of reference model and shows undermined performance in realistic data settings. These limitations raise two key questions: i) Can we achieve effective unlearning that quantifies model confidence in undesirable knowledge and uses it to calibrate gradient updates more precisely, thus reducing catastrophic forgetting? ii) Can we make unlearning robust to data scarcity and length variation? We answer both questions affirmatively with CATNIP (Calibrated and Tokenized Negative Preference Alignment), a principled method that rescales unlearning effects in proportion to the model's token-level confidence, thus ensuring fine-grained control over forgetting. Extensive evaluations on MUSE and WMDP benchmarks demonstrated that our work enables effective unlearning without requiring retention data or contrastive unlearning response pairs, with stronger knowledge forgetting and preservation tradeoffs than state-of-the-art methods.

  • 4 authors
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Feb 1

The Curious Case of Factual (Mis)Alignment between LLMs' Short- and Long-Form Answers

Large language models (LLMs) can correctly answer "When was Einstein born?" yet fail to provide the same date when writing about Einstein's life revealing a fundamental inconsistency in how models access factual knowledge across task complexities. While models display impressive accuracy on factual question-answering benchmarks, the reliability gap between simple and complex queries remains poorly understood, eroding their trustworthiness. In this work, we introduce Short-Long Form Alignment for Factual Question Answering (SLAQ), a controlled evaluation framework that compares LLMs' answers to the same factual questions asked (a) in isolation (short) vs. (b) integrated into complex queries (long). Looking at 16 LLMs across 600 queries, we find a systematic misalignment of answers to the corresponding short and long queries. We further uncover position-dependent accuracy loss and momentum effects where consecutive correct or incorrect answers create self-reinforcing patterns. Through mechanistic analysis, we find that aligned facts activate overlapping model internals, and that metrics based on mechanistic similarity can predict short-long answer alignment with up to 78% accuracy. Our work establishes factual consistency over query complexity as an important aspect of LLMs' trustworthiness and challenges current evaluation practices, which implicitly assume that good performance for simple factual queries implies reliability in more complex knowledge-seeking tasks too.

WueNLP WüNLP
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Oct 13, 2025 2

MMA-ASIA: A Multilingual and Multimodal Alignment Framework for Culturally-Grounded Evaluation

Large language models (LLMs) are now used worldwide, yet their multimodal understanding and reasoning often degrade outside Western, high-resource settings. We propose MMA-ASIA, a comprehensive framework to evaluate LLMs' cultural awareness with a focus on Asian contexts. MMA-ASIA centers on a human-curated, multilingual, and multimodally aligned multiple-choice benchmark covering 8 Asian countries and 10 languages, comprising 27,000 questions; over 79 percent require multi-step reasoning grounded in cultural context, moving beyond simple memorization. To our knowledge, this is the first dataset aligned at the input level across three modalities: text, image (visual question answering), and speech. This enables direct tests of cross-modal transfer. Building on this benchmark, we propose a five-dimensional evaluation protocol that measures: (i) cultural-awareness disparities across countries, (ii) cross-lingual consistency, (iii) cross-modal consistency, (iv) cultural knowledge generalization, and (v) grounding validity. To ensure rigorous assessment, a Cultural Awareness Grounding Validation Module detects "shortcut learning" by checking whether the requisite cultural knowledge supports correct answers. Finally, through comparative model analysis, attention tracing, and an innovative Vision-ablated Prefix Replay (VPR) method, we probe why models diverge across languages and modalities, offering actionable insights for building culturally reliable multimodal LLMs.

  • 35 authors
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Oct 6, 2025

Behavior Alignment via Reward Function Optimization

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

  • 5 authors
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Oct 29, 2023 1

Towards Unified Conversational Recommender Systems via Knowledge-Enhanced Prompt Learning

Conversational recommender systems (CRS) aim to proactively elicit user preference and recommend high-quality items through natural language conversations. Typically, a CRS consists of a recommendation module to predict preferred items for users and a conversation module to generate appropriate responses. To develop an effective CRS, it is essential to seamlessly integrate the two modules. Existing works either design semantic alignment strategies, or share knowledge resources and representations between the two modules. However, these approaches still rely on different architectures or techniques to develop the two modules, making it difficult for effective module integration. To address this problem, we propose a unified CRS model named UniCRS based on knowledge-enhanced prompt learning. Our approach unifies the recommendation and conversation subtasks into the prompt learning paradigm, and utilizes knowledge-enhanced prompts based on a fixed pre-trained language model (PLM) to fulfill both subtasks in a unified approach. In the prompt design, we include fused knowledge representations, task-specific soft tokens, and the dialogue context, which can provide sufficient contextual information to adapt the PLM for the CRS task. Besides, for the recommendation subtask, we also incorporate the generated response template as an important part of the prompt, to enhance the information interaction between the two subtasks. Extensive experiments on two public CRS datasets have demonstrated the effectiveness of our approach.

  • 4 authors
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Jun 19, 2022

Exploring Optimal Transport-Based Multi-Grained Alignments for Text-Molecule Retrieval

The field of bioinformatics has seen significant progress, making the cross-modal text-molecule retrieval task increasingly vital. This task focuses on accurately retrieving molecule structures based on textual descriptions, by effectively aligning textual descriptions and molecules to assist researchers in identifying suitable molecular candidates. However, many existing approaches overlook the details inherent in molecule sub-structures. In this work, we introduce the Optimal TRansport-based Multi-grained Alignments model (ORMA), a novel approach that facilitates multi-grained alignments between textual descriptions and molecules. Our model features a text encoder and a molecule encoder. The text encoder processes textual descriptions to generate both token-level and sentence-level representations, while molecules are modeled as hierarchical heterogeneous graphs, encompassing atom, motif, and molecule nodes to extract representations at these three levels. A key innovation in ORMA is the application of Optimal Transport (OT) to align tokens with motifs, creating multi-token representations that integrate multiple token alignments with their corresponding motifs. Additionally, we employ contrastive learning to refine cross-modal alignments at three distinct scales: token-atom, multitoken-motif, and sentence-molecule, ensuring that the similarities between correctly matched text-molecule pairs are maximized while those of unmatched pairs are minimized. To our knowledge, this is the first attempt to explore alignments at both the motif and multi-token levels. Experimental results on the ChEBI-20 and PCdes datasets demonstrate that ORMA significantly outperforms existing state-of-the-art (SOTA) models.

  • 7 authors
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Nov 4, 2024