A P Prathosh

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2papers
2citations

2 Papers

10.0CLApr 27Code
BiMol-Diff: A Unified Diffusion Framework for Molecular Generation and Captioning

Aditya Hemant Shahane, Anuj Kumar Sirohi, Devansh Arora et al.

Bridging molecular structures and natural language is essential for controllable design. Autoregressive models struggle with long-range dependencies, while standard diffusion processes apply uniform corruption across positions, which can distort structurally informative tokens. We present BiMol-Diff, a unified diffusion framework for the paired tasks of text-conditioned molecule generation and molecule captioning. Our key component is a token-aware noise schedule that assigns position-dependent corruption based on token recovery difficulty, preserving harder-to-recover substructures during the forward process. On ChEBI-20 and M3-20M, BiMol-Diff improves molecule reconstruction with a 15.4% relative gain in Exact Match and achieves strong captioning results, attaining best BLEU and BERTScore among compared baselines. These results indicate token-aware noising improves fidelity in molecular structure-language modelling.

19.4CLJun 10, 2024
HOLMES: Hyper-Relational Knowledge Graphs for Multi-hop Question Answering using LLMs

Pranoy Panda, Ankush Agarwal, Chaitanya Devaguptapu et al.

Given unstructured text, Large Language Models (LLMs) are adept at answering simple (single-hop) questions. However, as the complexity of the questions increase, the performance of LLMs degrade. We believe this is due to the overhead associated with understanding the complex question followed by filtering and aggregating unstructured information in the raw text. Recent methods try to reduce this burden by integrating structured knowledge triples into the raw text, aiming to provide a structured overview that simplifies information processing. However, this simplistic approach is query-agnostic and the extracted facts are ambiguous as they lack context. To address these drawbacks and to enable LLMs to answer complex (multi-hop) questions with ease, we propose to use a knowledge graph (KG) that is context-aware and is distilled to contain query-relevant information. The use of our compressed distilled KG as input to the LLM results in our method utilizing up to $67\%$ fewer tokens to represent the query relevant information present in the supporting documents, compared to the state-of-the-art (SoTA) method. Our experiments show consistent improvements over the SoTA across several metrics (EM, F1, BERTScore, and Human Eval) on two popular benchmark datasets (HotpotQA and MuSiQue).