10 accepted papers
Recent large language models (LLMs) achieve strong performance in generating promising reasoning paths for complex tasks. However, despite powerful generation ability, LLMs remain weak at verifying their own answers, revealing a persistent capability asymmetry between generation and self-verificatio…
Large language models face challenges in long-context question answering, where key evidence of a query may be dispersed across millions of tokens. Existing works equip large language models with a memory corpus that is dynamically updated during a single-pass document scan, also known as the "memor…
Long-horizon agentic reasoning necessitates effectively compressing growing interaction histories into a limited context window. Most existing memory systems serialize history as text, where token-level cost is uniform and scales linearly with length, often spending scarce budget on low-value detail…
While reasoning over long context is crucial for various real-world applications, it remains challenging for large language models (LLMs) as they suffer from performance degradation as the context length grows. Recent work MemAgent has tried to tackle this by processing context chunk-by-chunk in an …
3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers, they overlook the advantages of 1D SELFIES-based Language Models (LMs), which can generate 100\% valid molecules and lev…
Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due…
Large language models have demonstrated impressive reasoning capabilities but are inherently limited by their knowledge reservoir. Retrieval-augmented reasoning mitigates this limitation by allowing LLMs to query external resources, but existing methods often retrieve irrelevant or noisy information…
Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping the synthesis of new materials and drugs. However, previous w…
Predicting chemical reactions, a fundamental challenge in chemistry, involves forecasting the resulting products from a given reaction process. Conventional techniques, notably those employing Graph Neural Networks (GNNs), are often limited by insufficient training data and their inability to utiliz…
Masked graph modeling excels in the self-supervised representation learning of molecular graphs. Scrutinizing previous studies, we can reveal a common scheme consisting of three key components: (1) graph tokenizer, which breaks a molecular graph into smaller fragments (\ie subgraphs) and converts th…