42 accepted papers
Recent advancements in large language models, multimodal large language models, and large audio language models (LALMs) have significantly improved their reasoning capabilities through reinforcement learning utilizing rule-based rewards. However, the explicit reasoning process has not yet yielded su
From generating headlines to fabricating news, the Large Language Models (LLMs) are typically assessed by their final outputs, under the safety assumption that a refusal response signifies safe reasoning throughout the entire process. Challenging this assumption, our study reveals that during fake n…
Recent advances in zero-shot text-to-speech (TTS), driven by language models, diffusion models and masked generation, have achieved impressive naturalness in speech synthesis. Nevertheless, stability and fidelity remain key challenges, manifesting as mispronunciations, audible noise, and quality deg
Knowledge Base Question Answering (KBQA) challenges models to bridge the gap between natural language and strict knowledge graph schemas by generating executable logical forms. While Large Language Models (LLMs) have advanced this field, current approaches often struggle with a dichotomy of failure:…
When reliable target structures are unavailable at scale or phenotypes arise from dysregulated pathways, transcriptomic perturbations provide a system-level functional readout for drug action. In this work, we formalize Transcriptome-based Drug Design (TBDD) as a generative inverse problem: designin…
Identifying suitable reaction conditions is critical for chemical synthesis, as they directly affect yield, selectivity, and transformation feasibility. While recent methods have shown promising results, most approaches either encode reactants and products independently or rely on rule-based reactio
Prevalent retrieval-based tool-use pipelines struggle with a dual semantic challenge: their retrievers often employ encoders that fail to capture complex semantics, while the Large Language Model (LLM) itself lacks intrinsic tool knowledge from its natural language pretraining. Generative methods of…
Multi-step retrosynthetic planning aims to decompose target molecules into available starting materials by iteratively invoking single-step prediction models within a search algorithm. The success of retrosynthetic planning depends on the joint guidance of single-step reasoning and global search acr
Graphs are a fundamental data structure underlying many problems in the natural and social sciences. Over the past decade, Graph Neural Networks (GNNs) have dominated graph machine learning, supported by solid theoretical foundations. Yet scientists often understand graph structure through vision: c
Hallucination has emerged as a significant barrier to the effective application of Large Language Models (LLMs). In this work, we introduce a novel Attention-Guided SElf-Reflection (AGSER) approach for zero-shot hallucination detection in LLMs. The AGSER method utilizes attention contributions to ca
Large language models (LLMs) augmented with retrieval systems have significantly advanced natural language processing tasks by integrating external knowledge sources, enabling more accurate and contextually rich responses. To improve the robustness of such systems against noisy retrievals, Retrieval…
The spread of fake news on online platforms has long been a pressing concern. Considering this, extensive efforts have been made to develop fake news detectors. However, a major drawback of these models is their relatively low performance—lagging by more than 20%—in identifying *fake* news compared…
Large language models (LLMs) face challenges with internal knowledge inaccuracies and outdated information. Knowledge editing has emerged as a pivotal approach to mitigate these issues. Although current knowledge editing techniques exhibit promising performance in single-hop reasoning tasks, they sh
Establishing the relationship between 3D structures and the energy states of molecular systems has proven to be a promising approach for learning 3D molecular representations. However, existing methods are limited to modeling the molecular energy states from classical mechanics. This limitation resu…
Personalized text generation aims to infer users’ writing style preferences from their historical texts and generate outputs that faithfully reflect these stylistic characteristics. Existing solutions primarily adopt two paradigms: retrieval-augmented generation (RAG) and parameter-efficient fine-tu…
Large language model editing methods frequently suffer from overfitting, wherein factual updates can propagate beyond their intended scope, overemphasizing the edited target even when it’s contextually inappropriate. To address this challenge, we introduce REACT (Representation Extraction And Contro
As textual reasoning with large language models (LLMs) has advanced significant, there has been growing interest in enhancing the multimodal reasoning capabilities of large vision-language models (LVLMs). However, existing methods primarily approach multimodal reasoning in a straightforward, text-ce…
Despite their impressive capabilities, Large Vision-Language Models (LVLMs) frequently generate responses that are plausible but incorrect or unsupported—commonly referred to as hallucinations. In this study, we investigate whether different types of hallucinations are reflected in the model’s inter
In the era of rapidly evolving large language models (LLMs), state-of-the-art rumor detection systems, particularly those based on Message Propagation Trees (MPTs), which represent a conversation tree with the post as its root and the replies as its descendants, are facing increasing threats from ad…
Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for graph understanding, finding they achieve performance comparab…
Knowledge editing has been proposed as an effective method for updating and correcting the internal knowledge of Large Language Models (LLMs). However, existing editing methods often struggle with complex tasks, such as multi-hop reasoning. In this paper, we identify and investigate the phenomenon o…
With the emergence of various molecular tasks and massive datasets, how to perform efficient training has become an urgent yet under-explored issue in the area. Data pruning (DP), as an oft-stated approach to saving training burdens, filters out less influential samples to form a coreset for trainin…
Temporal Knowledge Graph (TKG) forecasting aims to predict future facts based on given histories. Most recent graph-based models excel at capturing structural information within TKGs but lack semantic comprehension abilities. Nowadays, with the surge of LLMs, the LLM-based TKG prediction model has e…
Fact verification aims to automatically probe the veracity of a claim based on several pieces of evidence. Existing works are always engaging in accuracy improvement, let alone explainability, a critical capability of fact verification systems.Constructing an explainable fact verification system in…
Fact checking aims to predict claim veracity by reasoning over multiple evidence pieces. It usually involves evidence retrieval and veracity reasoning. In this paper, we focus on the latter, reasoning over unstructured text and structured table information. Previous works have primarily relied on fi…
The rapid spread of information through mobile devices and media has led to the widespread of false or deceptive news, causing significant concerns in society. Among different types of misinformation, image repurposing, also known as out-of-context misinformation, remains highly prevalent and effect…
Large language models (LLMs) are pivotal in advancing natural language processing (NLP) tasks, yet their efficacy is hampered by inaccuracies and outdated knowledge. Model editing emerges as a promising solution to address these challenges. However, existing editing methods struggle to track and inc…
Molecular property prediction (MPP) is integral to drug discovery and material science, but often faces the challenge of data scarcity in real-world scenarios. Addressing this, few-shot molecular property prediction (FSMPP) has been developed. Unlike other few-shot tasks, FSMPP typically employs a p…
Self-supervised learning on graphs can be bifurcated into contrastive and generative methods. Contrastive methods, also known as graph contrastive learning (GCL), have dominated graph self-supervised learning in the past few years, but the recent advent of graph masked autoencoder (GraphMAE) rekindl…
Recently, the powerful large language models (LLMs) have been instrumental in propelling the progress of recommender systems (RS). However, while these systems have flourished, their susceptibility to security threats has been largely overlooked. In this work, we reveal that the introduction of LLMs…
Text-guided molecule generation is a task where molecules are generated to match specific textual descriptions. Recently, most existing SMILES-based molecule generation methods rely on an autoregressive architecture. In this work, we propose the Text-Guided Molecule Generation with Diffusion Languag…
Recently, knowledge editing on large language models (LLMs) has received considerable attention. Compared to this, editing Large Vision-Language Models (LVLMs) faces extra challenges from diverse data modalities and complicated model components, and data for LVLMs editing are limited. The existing L…
Fact verification aims to automatically judge the veracity of a claim according to several pieces of evidence. Due to the manual construction of datasets, spurious correlations between claim patterns and its veracity (i.e., biases) inevitably exist. Recent studies show that models usually learn such…
Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of GSL methods developed in recent years, there is no standard…
Temporal Knowledge Graph (TKG) reasoning aims to predict future facts based on historical data. However, due to the limitations in construction tools and data sources, many important associations between entities may be omitted in TKG. We refer to these missing associations as latent relations. Most…
Distantly supervised relation extraction (DSRE) aims to extract relational facts from texts but suffers from noisy instances. To mitigate the influence of noisy labels, current methods typically use the Multi-Instance-Learning framework to extract relations for each bag. However, these approaches a…
Molecular Representation Learning (MRL) has emerged as a powerful tool for drug and materials discovery in a variety of tasks such as virtual screening and inverse design. While there has been a surge of interest in advancing model-centric techniques, the influence of both data quantity and quality…
Graph classification is a challenging research task in many applications across a broad range of domains. Recently, Graph Neural Network (GNN) models have achieved superior performance on various real-world graph datasets. Despite their successes, most of current GNN models largely suffer from the u…
Reasoning over Temporal Knowledge Graphs (TKGs) aims to predict future facts based on given history. One of the key challenges for prediction is to learn the evolution of facts. Most existing works focus on exploring evolutionary information in history to obtain effective temporal embeddings for ent…
To retrieve more relevant, appropriate and useful documents given a query, finding clues about that query through the text is crucial. Recent deep learning models regard the task as a term-level matching problem, which seeks exact or similar query patterns in the document. However, we argue that the…
Graph Contrastive Learning (GCL) establishes a new paradigm for learning graph representations without human annotations. Although remarkable progress has been witnessed recently, the success behind GCL is still left somewhat mysterious. In this work, we first identify several critical design consid…
This paper explores meta-learning in sequential recommendation to alleviate the item cold-start problem. Sequential recommendation aims to capture user's dynamic preferences based on historical behavior sequences and acts as a key component of most online recommendation scenarios. However, most prev…