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Tong Xie

8 accepted papers

2026

AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Material Structures

ICML 2026poster

Large language models (LLMs) have shown promising potential in materials science, enabling tasks ranging from knowledge retrieval to property prediction. Existing materials science benchmarks mainly focus on perceptual or knowledge-based tasks, largely ignoring the structure modelling tasks, a core …

Cited by 0SourceScholar
2026

When Distance Distracts: Representation Distance Bias in BT-Loss for Reward Models

ICML 2026poster

Reward models are central to Large Language Model (LLM) alignment within the framework of RLHF. The standard objective used in reward modeling is the Bradley-Terry (BT) loss, which learns from pairwise data consisting of a pair of chosen and rejected responses. In this work, we analyze the per-sampl…

Cited by 0SourceScholar
2025

EfficientNav: Towards On-Device Object-Goal Navigation with Navigation Map Caching and Retrieval

NeurIPS 2025poster

Object-goal navigation (ObjNav) tasks an agent with navigating to the location of a specific object in an unseen environment. Embodied agents equipped with large language models (LLMs) and online constructed navigation maps can perform ObjNav in a zero-shot manner. However, existing agents heavily…

Cited by 0SourcecodeScholar
2025

LLaMA-Berry: Pairwise Optimization for Olympiad-level Mathematical Reasoning via O1-like Monte Carlo Tree Search

NAACL 2025long

This paper presents LLaMA-Berry, an advanced mathematical reasoning framework to enhance the problem-solving ability of large language models (LLMs). The framework combines Monte Carlo Tree Search with Self-Refine (SR-MCTS) to optimize the reasoning paths and utilizes a pairwise reward model to eval…

Cited by 0SourcePDFScholar
2025

MOOSE-Chem2: Exploring LLM Limits in Fine-Grained Scientific Hypothesis Discovery via Hierarchical Search

NeurIPS 2025poster

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the new task of fine-grained scientific hypothe…

Cited by 0SourceScholar
2025

MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses

ICLR 2025poster

Scientific discovery contributes largely to the prosperity of human society, and recent progress shows that LLMs could potentially catalyst the process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this main research que…

2024

Construction and Application of Materials Knowledge Graph in Multidisciplinary Materials Science via Large Language Model

NeurIPS 2024poster

Knowledge in materials science is widely dispersed across extensive scientific literature, posing significant challenges for efficient discovery and integration of new materials. Traditional methods, often reliant on costly and time-consuming experimental approaches, further complicate rapid innovat…

Cited by 4SourcePDFScholar
2024

Filamentary Convolution for Spoken Language Identification: A Brain-Inspired Approach

ICASSP 2024accepted

Spoken language identification (SLI) by human beings relies on the hierarchical understanding of one or a few words within the voice signal, encapsulated within the corresponding time windows. Concurrently, frequency-domain features play a crucial role in enhancing identification. The short-time Fou…

Cited by 0SourceScholar