80 accepted papers
Generative self-supervised learning on graphs has emerged as a popular learning paradigm and demonstrated its efficacy in handling non-Euclidean data. However, several remaining issues limit the capability of existing methods: 1) the disregard of uneven node significance in masking, 2) the underutil
High‑quality Question–Answer (QA) datasets are foundational for reliable Large Language Model (LLM) evaluation, yet even expert‑crafted datasets exhibit persistent gaps in domain coverage, misaligned difficulty distributions, and factual inconsistencies. The recent surge in generative model-powered
While LLM agents can plan multi-step tasks, intervening at the planning stage—before any action is executed—is often the safest way to prevent harm, since certain risks can lead to severe consequences once carried out. However, existing guardrails mostly operate post-execution, which is difficult to…
While most AI alignment research focuses on preventing models from generating explicitly harmful content, a more subtle risk is emerging: capability-oriented training induced exploitation. We investigate whether language models, when trained with reinforcement learning (RL) in environments with impl…
Physiological waveforms (e.g., ECG, PPG, EEG) encode clinically meaningful information in fine-grained morphology, precise timing, and cross-channel dynamics, yet most machine learning systems still treat them as generic time series and optimize end-to-end prediction. In this position paper, **we ar…
Large Language Models (LLMs) as judges and LLM-based data synthesis have emerged as two fundamental LLM-driven data annotation methods in model development. While their combination significantly enhances the efficiency of model training and evaluation, little attention has been given to the potentia…
Understanding how and why large language models (LLMs) fail is becoming a central challenge as models rapidly evolve and static evaluations fall behind. While automated probing has been enabled by dynamic test generation, existing approaches often discover isolated failure cases, lack principled con…
Large Language Models (LLMs) have achieved remarkable success in instruction-following and dialogue tasks, yet aligning them with human preferences remains a critical challenge. Recent advances such as Direct Preference Optimization (DPO) simplify the alignment pipeline by bypassing explicit reward
Benchmarks establish a standardized evaluation framework to systematically assess the performance of large language models (LLMs), facilitating objective comparisons and driving advancements in the field. However, existing benchmarks fail to differentiate question difficulty, limiting their ability…
In high-stakes scenarios—such as self-harm, legal, or medical queries—LLMs must be both trustworthy and helpful. However, these goals often conflict. We propose priority alignment, a new alignment paradigm that enforces a strict “trustworthy-before-helpful” ordering: optimization of helpfulness is c
Modeling semantic and structural information from tabular data remains a core challenge for effective table understanding. Existing Table-as-Text approaches flatten tables for large language models (LLMs), but lose crucial structural cues, while Table-as-Image methods preserve structure yet struggle…
Generative foundation models (GenFMs), such as large language models and text-to-image systems, have demonstrated remarkable capabilities in various downstream applications. As they are increasingly deployed in high-stakes applications, assessing their trustworthiness has become both a critical nece…
LLMs often need effective configurations, like temperature and reasoning steps, to handle tasks requiring sophisticated reasoning and problem-solving, ranging from joke generation to mathematical reasoning. Existing prompting approaches usually adopt general-purpose, fixed configurations that work “…
Large Language Models (LLMs) often struggle to maintain their original performance when faced with semantically coherent but task-irrelevant contextual information. Although prior studies have explored this issue using fixed-template or retrieval-based distractions, such static methods show limited…
The rapid advent of machine learning (ML) and artificial intelligence (AI) has catalyzed major transformations in chemistry, yet the application of these methods to spectroscopic and spectrometric data—termed Spectroscopy Machine Learning (SpectraML)—remains relatively underexplored. Modern spectros
Large language models (LLMs) are powerful tools capable of handling diverse tasks. Comparing and selecting appropriate LLMs for specific tasks requires systematic evaluation methods, as models exhibit varying capabilities across different domains. However, finding suitable benchmarks is difficult gi…
Due to the widespread use of LLMs and the rising critical ethical and safety concerns, LLM unlearning methods have been developed to remove harmful knowledge and undesirable capabilities. In this context, evaluations are mostly based on single-value metrics such as QA accuracy. However, these metric…
Machine unlearning (MU) has gained significant attention as a means to remove the influence of specific data from a trained model without requiring full retraining. While progress has been made in unimodal domains like text and image classification, unlearning in multimodal models remains relatively…
Empowering large language models (LLMs) with chemical intelligence remains a challenge due to the scarcity of high-quality, domain-specific instruction-response datasets and the misalignment of existing synthetic data generation pipelines with the inherently hierarchical and rule-governed structure…
Large Language Models (LLMs) have achieved remarkable success in Natural Language Processing (NLP), yet their cross-lingual consistency remains a significant challenge. This paper introduces a novel methodology for efficiently identifying inherent cross-lingual weaknesses in LLMs. Our approach lever…
Large Language Models (LLMs) such as GPT-4 and Llama3 have significantly impacted various fields by enabling high-quality synthetic data generation and reducing dependence on expensive human-generated datasets. Despite this, challenges remain in the areas of generalization, controllability, diversi…
Logical reasoning is a core capability for large language models (LLMs), yet existing benchmarks that rely solely on final-answer accuracy fail to capture the quality of the reasoning process. To address this, we introduce FineLogic, a fine-grained evaluation framework that assesses logical reasonin
Agent systems based on large language models (LLMs) have shown great potential in complex reasoning tasks, but building efficient and generalizable workflows remains a major challenge. Most existing approaches rely on manually designed processes, which limits their adaptability across different task…
Logit-based LLM watermarking traces and verifies AI-generated content by maintaining green and red token lists and increasing the likelihood of green tokens during generation. However, it struggles in low-entropy scenarios, where predictable outputs make green token selection difficult without disru
LLM-as-a-Judge has been widely utilized as an evaluation method in various benchmarks and served as supervised rewards in model training. However, despite their excellence in many domains, potential issues are under-explored, undermining their reliability and the scope of their utility. Therefore,…
Recent advancements in LLMs unlearning have shown remarkable success in removing unwanted data-model influences while preserving the model’s utility for legitimate knowledge. Despite these strides, sparse Mixture-of-Experts (MoE) LLMs–a key subset of the LLM family–have remained unexplored in the co…
Jailbreaking in Large Language Models (LLMs) is a major security concern as it can deceive LLMs into generating harmful text. However, understanding of how jailbreaking works remains limited, hindering the development of effective defense strategies. To address this issue, we conduct a large-scale a…
Ensuring the trustworthiness of Generative Foundation Models (GenFMs) is a pressing challenge as they gain widespread use. Existing evaluation toolkits are often limited in scope, dynamism, and flexibility. This paper introduces TRUSTEVAL, a dynamic and comprehensive toolkit designed for evaluating…
Fair Graph Neural Networks (GNNs) have been extensively studied in graph-based applications. However, most approaches to fair GNNs assume the full availability of demographic information by default, which is often unrealistic due to legal restrictions or privacy concerns, leaving a noticeable gap in…
Long-separated research has been conducted on two highly correlated tracks: traffic and incidents. Traffic track witnesses complicating deep learning models, e.g., to push the prediction a few percent more accurate, and the incident track only studies the incidents alone, e.g., to infer the incident…
Few-shot learning has emerged as an important problem on graphs to combat label scarcity, which can be approached by current trends in pre-trained graph neural networks (GNNs) and meta-learning. Recent efforts integrate both paradigms in a white-box setting, leaving the more realistic black-box sett…
Large Language Models (LLMs) have garnered significant attention due to their remarkable ability to process information across various languages. Despite their capabilities, they exhibit inconsistencies in handling identical queries in different languages, presenting challenges for further advanceme…
Inverse molecular generation is an essential task for drug discovery, and generative models offer a very promising avenue, especially when diffusion models are used. Despite their great success, existing methods are inherently limited by the lack of a semantic latent space that can not be navigated…
Research on adversarial robustness has predominantly focused on continuous inputs, leaving categorical inputs, especially tabular attributes, less examined. To echo this challenge, our work aims to evaluate and enhance the robustness of classification over categorical attributes against adversarial…
In human-AI collaborative tasks, the distribution of human behavior, influenced by mental models, is non-stationary, manifesting in various levels of initiative and different collaborative strategies. A significant challenge in human-AI collaboration is determining how to collaborate effectively wit…
Large Language Models (LLMs) have shown significant problem-solving capabilities across predictive and generative tasks in chemistry. However, their proficiency in multi-step chemical reasoning remains underexplored. We introduce a new challenge: molecular structure elucidation, which involves de…
Large Language Models (LLMs) demonstrate remarkable capabilities across diverse applications. However, concerns regarding their security, particularly the vulnerability to jailbreak attacks, persist. Drawing inspiration from adversarial training in deep learning and LLM agent learning processes, we…
Large Language Models (LLMs) have achieved remarkable success across various industries and applications, owing to their exceptional generative capabilities. Nevertheless, honesty and helpfulness, which ensure safe and useful real-world deployments, have been considered as the longstanding cornersto…
Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to their notable capabilities in planning and reasoning, LLMs have been utilized as autonomous agents for the automatic execution of various tasks. Recently, LLM-based agent systems have rapidly evolved f…
Reasoning in mathematical domains remains a significant challenge for relatively small language models (LMs). Many current methods focus on specializing LMs in mathematical reasoning and rely heavily on distilling knowledge from powerful yet inefficient large LMs (LLMs). In this work, we explore a n…
Large language models (LLMs) have gained considerable attention for their excellent natural language processing capabilities. Nonetheless, these LLMs present many challenges, particularly in the realm of trustworthiness. This paper introduces TrustLLM, a comprehensive study of trustworthiness in LLM…
Text-to-image prompt refinement (T2I-Refine) aims to rephrase or extend an input prompt with more descriptive details that can be leveraged to generate images with higher quality. In this paper, we study an adversarial prompt attacking problem for T2I-Refine, where to goal is to implicitly inject sp…
Audio-Visual Question Answering (AVQA) is a challenging task that involves answering questions based on both auditory and visual information in videos. A significant challenge is interpreting complex multi-modal scenes, which include both visual objects and sound sources, and connecting them to the…
The paper introduces SceMQA, a novel benchmark for scientific multimodal question answering at the college entrance level. It addresses a critical educational phase often overlooked in existing benchmarks, spanning high school to pre-college levels. SceMQA focuses on core science subjects including…
Automatic image captioning has been extensively studied, however, existing methods primarily focus on a single image. Actually, the demand for captioning multiple images and corresponding contextual information has been growing in diverse scenarios, e.g., composing news articles headlines, and elect…
Predicting chemical reaction yields is pivotal for efficient chemical synthesis, an area that focuses on the creation of novel compounds for diverse uses. Yield prediction demands accurate representations of reactions for forecasting practical transformation rates. Yet, the uncertainty issues broad…
In this paper, we study a controllable prompt adversarial attacking problem for text guided image generation (Text2Image) models in the black-box scenario, where the goal is to attack specific visual subjects (e.g., changing a brown dog to white) in a generated image by slightly, if not imperceptibl…
Solving math word problem (MWP) remains a challenging task, as it requires to understand both the semantic meanings of the text and the mathematical logic among quantities, i.e., for both semantics modal and quantity modal learning. Current MWP encoders work in a uni-modal setting and map the given…
Cross-domain graph few-shot learning attempts to address the prevalent data scarcity issue in graph mining problems. However, the utilization of cross-domain data induces another intractable domain shift issue which severely degrades the generalization ability of cross-domain graph few-shot learning…
Despite becoming a prevailing paradigm for organizing knowledge, most knowledge graphs (KGs) suffer from the low-resource issue due to the deficiency of data sources. The enrichment of KGs by automatic knowledge graph completion is impeded by the intrinsic long-tail property of KGs. In spite of thei…
Current math word problem (MWP) solvers are usually Seq2Seq models trained by the (one-problem; one-solution) pairs, each of which is made of a problem description and a solution showing reasoning flow to get the correct answer. However, one MWP problem naturally has multiple solution equations. Th…
Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top of which the downstream tasks (e.g., property prediction) can…
A robust summarization system should be able to capture the gist of the document, regardless of the specific word choices or noise in the input. In this work, we first explore the summarization models’ robustness against perturbations including word-level synonym substitution and noise. To create se…
While Graph Neural Networks (GNNs) have demonstrated their efficacy in dealing with non-Euclidean structural data, they are difficult to be deployed in real applications due to the scalability constraint imposed by the multi-hop data dependency. Existing methods attempt to address this scalability i…
As it is cumbersome and expensive to acquire a huge amount of data for training neural dialog models, data augmentation is proposed to effectively utilize existing training samples. However, current data augmentation techniques on the dialog generation task mostly augment all cases in the training d…
In this paper, we present a novel approach for distilling math word problem solving capabilities from large language models (LLMs) into smaller, more efficient student models. Our approach is designed to consider the student model's weaknesses and foster a tailored learning experience by generating…
Are Federated Learning (FL) systems free from backdoor poisoning with the arsenal of various defense strategies deployed? This is an intriguing problem with significant practical implications regarding the utility of FL services. Despite the recent flourish of poisoning-resilient FL methods, our stu…
Our work targets at searching feasible adversarial perturbation to attack a classifier with high-dimensional categorical inputs in a domain-agnostic setting. This is intrinsically a NP-hard knapsack problem where the exploration space becomes explosively larger as the feature dimension increases. W…
While significant progress has been made in natural language processing (NLP), existing methods exhibit limitations in effectively interpreting and processing diverse mathematical modalities. Therefore, we introduce UniMath, a versatile and unified system designed for multimodal mathematical reasoni…
Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper, ra…
Math word problem (MWP) solving is an important task in question answering which requires human-like reasoning ability. Analogical reasoning has long been used in mathematical education, as it enables students to apply common relational structures of mathematical situations to solve new problems. In…
This paper introduces ArtELingo, a new benchmark and dataset, designed to encourage work on diversity across languages and cultures. Following ArtEmis, a collection of 80k artworks from WikiArt with 0.45M emotion labels and English-only captions, ArtELingo adds another 0.79M annotations in Arabic an…
Graph representation learning has attracted tremendous attention due to its remarkable performance in many real-world applications. However, prevailing supervised graph representation learning models for specific tasks often suffer from label sparsity issue as data labeling is always time and resour…
Retrosynthetic planning plays an important role in the field of organic chemistry, which could generate a synthetic route for the target product. The synthetic route is a series of reactions which are started from the available molecules. The most challenging problem in the generation of the synthet…
Math word problem (MWP) solving faces a dilemma in number representation learning. In order to avoid the number representation issue and reduce the search space of feasible solutions, existing works striving for MWP solving usually replace real numbers with symbolic placeholders to focus on logic re…
Most real-world knowledge graphs (KG) are far from complete and comprehensive. This problem has motivated efforts in predicting the most plausible missing facts to complete a given KG, i.e., knowledge graph completion (KGC). However, existing KGC methods suffer from two main issues, 1) the false neg…
This paper studies learning node representations with graph neural networks (GNNs) for unsupervised scenario. Specifically, we derive a theoretical analysis and provide an empirical demonstration about the non-steady performance of GNNs over different graph datasets, when the supervision signals are…
In a citation graph, adjacent paper nodes share related scientific terms and topics. The graph thus conveys unique structure information of document-level relatedness that can be utilized in the paper summarization task, for exploring beyond the intra-document information.In this work, we focus on l…
Despite the success achieved in neural abstractive summarization based on pre-trained language models, one unresolved issue is that the generated summaries are not always faithful to the input document. There are two possible causes of the unfaithfulness problem: (1) the summarization model fails t…
Characterizing and assessing the adversarial vulnerability of classification models with categorical input has been a practically important, while rarely explored research problem. Our work echoes the challenge by first unveiling the impact factors of adversarial vulnerability of classification mode…
Given a set of related publications, related work section generation aims to provide researchers with an overview of the specific research area by summarizing these works and introducing them in a logical order. Most of existing related work generation models follow the inflexible extractive style,…
Evasion attack in multi-label learning systems is an interesting, widely witnessed, yet rarely explored research topic. Characterizing the crucial factors determining the attackability of the multi-label adversarial threat is the key to interpret the origin of the adversarial vulnerability and to un…
Many existing works have demonstrated that language is a helpful guider for image understanding by neural networks. We focus on a language-shaped learning problem in a few-shot setting, i.e., using language to improve few-shot image classification when language descriptions are only available during…
Multi-label text classification (MLTC) aims to annotate documents with the most relevant labels from a number of candidate labels. In real applications, the distribution of label frequency often exhibits a long tail, i.e., a few labels are associated with a large number of documents (a.k.a. head la…
In this paper, we propose a novel stochastic gradient estimator—ProbAbilistic Gradient Estimator (PAGE)—for nonconvex optimization. PAGE is easy to implement as it is designed via a small adjustment to vanilla SGD: in each iteration, PAGE uses the vanilla minibatch SGD update with probability $p_t$…
Session-based recommendation (SBR) focuses on next-item prediction at a certain time point. As user profiles are generally not available in this scenario, capturing the user intent lying in the item transitions plays a pivotal role. Recent graph neural networks (GNNs) based SBR methods regard the it…
Math word problems (MWPs) have been recently addressed with Seq2Seq models by `translating' math problems described in natural language to a mathematical expression, following a typical encoder-decoder structure. Although effective in solving classical math problems, these models fail when a subtle…
This paper carries out a large dimensional analysis of a variation of kernel ridge regression that we call centered kernel ridge regression (CKRR), also known in the literature as kernel ridge regression with offset. This modified technique is obtained by accounting for the bias in the regression pr…
Understanding the relationships between biomedical terms like viruses, drugs, and symptoms is essential in the fight against diseases. Many attempts have been made to introduce the use of machine learning to the scientific process of hypothesis generation (HG), which refers to the discovery of meani…
Multi-view, Multi-instance, and Multi-label Learning (M3L) can model complex objects (bags), which are represented with different feature views, made of diverse instances, and annotated with discrete non-exclusive labels. Existing M3L approaches assume a complete correspondence between bags and vi…