42 accepted papers
Understanding and predicting how social beliefs evolve in response to events—from policy changes to scientific breakthroughs—remains a fundamental challenge in social science. Given LLMs’ commonsense knowledge and social intelligence, we ask: *Can LLMs model the dynamics of social beliefs following …
Experience learning has achieved promising results in enhancing LLM agent planning and reasoning by integrating past interactions as reusable knowledge. However, existing methods remain confined to explicit text space---retrieving experiences via semantic similarity and concatenating them into the c…
LLM routing has achieved promising results in integrating the strengths of di- verse models while balancing efficiency and performance. However, to support more realistic and challenging applications, routing must extend into agentic LLM settings—where task planning, multi-round cooperation among he…
Memory is increasingly central to Large Language Model (LLM) agents operating beyond a single context window, yet most existing systems rely on offline, query-agnostic memory construction that can be inefficient and may discard query-critical information. Although runtime memory utilization is a nat…
Large Language Models (LLMs) can be seen as compressed knowledge bases, but it remains unclear what knowledge they truly contain and how far their knowledge boundaries extend. Existing benchmarks are mostly static and provide limited support for systematic knowledge probing. In this paper, we propos…
Relational Databases (RDBs) are the backbone of modern business, yet they have missed the Foundation Model revolution. Unlike text or images, high-quality RDB data is private and scarce, rendering the standard approach of ``pre-training on the internet'' infeasible. Consequently, existing solutions …
Reinforcement learning with verifiable rewards has significantly advanced reasoning with large language models (LLMs) in domains such as mathematics and logic. However, verifiable signals provide only coarse-grained or binary correctness feedback. This limitation results in inefficiencies like overl…
Large language models (LLMs) have shown promising potential in persuasion, but existing works on training LLM persuaders are still preliminary. Notably, while humans are skilled in modeling their opponent's thoughts and opinions proactively and dynamically, current LLMs struggle with such Theory of …
Large language models (LLMs) have demonstrated strong persuasive capabilities comparable to those of humans, offering promising benefits while raising societal concerns about their deployment. However, systematically evaluating persuasive capabilities is inherently challenging, as the effectiveness…
As large-scale multi-agent systems evolve, the communication protocol layer has become a critical, yet understudied, component affecting system performance and reliability. Despite a range of protocols, such as JSON-RPC, A2A, ANP, and ACP, protocol selection remains ad hoc. To address this, we intro…
Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions, such as H-bond and π stacking—occur only under specific local conditions. Most existing approaches represent molecules a…
When exposed to complex queries containing multiple conditions, today’s large language models (LLMs) tend to produce responses that only partially satisfy the query while neglecting certain conditions. We, therefore, introduce the concept of Intent Hallucination, a phenomenon where LLMs either omit…
Evaluating Large Language Models (LLMs) requires effective methods to assess semantic consistency across multiple reversible transformations. Traditional self-consistency methods often fail to capture subtle semantic errors in multi-step tasks. We introduce ConsistencyChecker, a tree-based evaluatio…
Large language models (LLMs) are increasingly employed for complex tasks that process multiple generation calls in a tree structure with shared prefixes of tokens, including few-shot prompting, multi-step reasoning, speculative decoding, etc. However, existing inference systems for tree-based applic…
Diagrams play a central role in research papers for conveying ideas, yet they are often notoriously complex and labor-intensive to create. Although diagrams are presented as images, standard image generative models struggle to produce clear diagrams with well-defined structure. We argue that a promi
World models (WMs) demonstrate strong capabilities in prediction, generation, and planning tasks. Existing WMs primarily focus on unstructured data while cannot leverage the ubiquitous structured data, often represented as graphs, in the digital world. While multiple graph foundation models have bee…
Retrieval-augmented generation (RAG) has revitalized Large Language Models (LLMs) by injecting non-parametric factual knowledge. Compared with long-context LLMs, RAG is considered an effective summarization tool in a more concise and lightweight manner, which can interact with LLMs multiple times us…
The powerful capabilities of Large Language Models (LLMs) have led to their growing use in evaluating human-generated content, particularly in evaluating research ideas within academic settings. Existing solutions primarily rely on prompt-based LLM methods or fine-tuned lightweight language models f…
The rapidly growing number and variety of Large Language Models (LLMs) present significant challenges in efficiently selecting the appropriate LLM for a given query, especially considering the trade-offs between performance and computational cost. Current LLM selection methods often struggle to gene…
Large Language Models (LLMs) have shown remarkable capabilities as autonomous agents; yet existing benchmarks either focus on single-agent tasks or are confined to narrow domains, failing to capture the dynamics of multi-agent coordination and competition. In this paper, we introduce MultiAgentBench…
Large Language Models (LLMs) have demonstrated remarkable potential in scientific domains, yet a fundamental question remains unanswered: Can we simulate human research communities with LLMs? Addressing this question can deepen our understanding of the processes behind idea brainstorming and inspire…
The rapid emergence of diverse large language models (LLMs) has spurred the development of LLM routers that assign user queries to the most suitable model. However, existing LLM routers typically perform a single-round, one-to-one mapping (\textit{i.e.}, assigning each query to a single model in iso…
Recent advancements in large language model (LLM) agents have significantly accelerated scientific discovery automation, yet concurrently raised critical ethical and safety concerns. To systematically address these challenges, we introduce **SafeScientist**, an innovative AI scientist framework expl
As scientific research proliferates, researchers face the daunting task of navigating and reading vast amounts of literature. Existing solutions, such as document QA, fail to provide personalized and up-to-date information efficiently. We present Arxiv Copilot, a self-evolving, efficient LLM system…
Structure prediction of large protein complexes (a.k.a., protein multimer mod- elling, PMM) can be achieved through the one-by-one assembly using provided dimer structures and predicted docking paths. However, existing PMM methods struggle with vast search spaces and generalization challenges: (1) T…
Recent advancements in artificial intelligence have led to the creation of highly capable large language models (LLMs) that can perform tasks in a human-like manner. However, LLMs exhibit only infant-level cognitive abilities in certain areas. One such area is the A-Not-B error, a phenomenon seen in…
In this paper, we approach an overlooked yet critical task Graph2Image: generating images from multimodal attributed graphs (MMAGs). This task poses significant challenges due to the explosion in graph size, dependencies among graph entities, and the need for controllability in graph conditions. To…
The advancement of large language models (LLMs) has extended their use to dynamic and interactive real-world applications, where models engage continuously with their environment and potentially enhance their performance over time. Most existing LLM benchmarks evaluate LLMs on i.i.d. tasks, overlook…
Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming because no ML algorithm can…
Large language models (LLMs) typically utilize the top-k contexts from a retriever in retrieval-augmented generation (RAG). In this work, we propose a novel method called RankRAG, which instruction-tunes a single LLM for both context ranking and answer generation in RAG. In particular, the instruc…
AutoML has demonstrated remarkable success in finding an effective neural architecture for a given machine learning task defined by a specific dataset and an evaluation metric. However, most present AutoML techniques consider each task independently from scratch, which requires exploring many archit…
A key assumption in multi-task learning is that at the inference time the multi-task model only has access to a given data point but not to the data point’s labels from other tasks. This presents an opportunity to extend multi-task learning to utilize data point’s labels from other auxiliary tasks,…
Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means GNNs that are not able to predict node clustering coefficients…
The rapid evolution of Graph Neural Networks (GNNs) has led to a growing number of new architectures as well as novel applications. However, current research focuses on proposing and evaluating specific architectural designs of GNNs, such as GCN, GIN, or GAT, as opposed to studying the more general…
Neural networks are often represented as graphs of connections between neurons. However, despite their wide use, there is currently little understanding of the relationship between the graph structure of the neural network and its predictive performance. Here we systematically investigate how does t…
Machine learning with missing data has been approached in many different ways, including feature imputation where missing feature values are estimated based on observed values and label prediction where downstream labels are learned directly from incomplete data. However, existing imputation models…
The Boolean Satisfiability (SAT) problem is the canonical NP-complete problem and is fundamental to computer science, with a wide array of applications in planning, verification, and theorem proving. Developing and evaluating practical SAT solvers relies on extensive empirical testing on a set of re…
Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex…
Learning node embeddings that capture a node’s position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes…
Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph generation, whose goal is to discover novel molecules with desired…
Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due to the non-unique, high-dimensional nature of graphs and the…
Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do n…