Vanessa Lopez

2papers

2 Papers

AINov 1, 2022
Envisioning a Human-AI collaborative system to transform policies into decision models

Vanessa Lopez, Gabriele Picco, Inge Vejsbjerg et al.

Regulations govern many aspects of citizens' daily lives. Governments and businesses routinely automate these in the form of coded rules (e.g., to check a citizen's eligibility for specific benefits). However, the path to automation is long and challenging. To address this, recent global initiatives for digital government, proposing to simultaneously express policy in natural language for human consumption as well as computationally amenable rules or code, are gathering broad public-sector interest. We introduce the problem of semi-automatically building decision models from eligibility policies for social services, and present an initial emerging approach to shorten the route from policy documents to executable, interpretable and standardised decision models using AI, NLP and Knowledge Graphs. Despite the many open domain challenges, in this position paper we explore the enormous potential of AI to assist government agencies and policy experts in scaling the production of both human-readable and machine executable policy rules, while improving transparency, interpretability, traceability and accountability of the decision making.

85.9LGMar 12
Generalist Large Language Models for Molecular Property Prediction: Distilling Knowledge from Specialist Models

Khiem Le, Sreejata Dey, Marcos Martínez Galindo et al.

Molecular Property Prediction (MPP) is a central task in drug discovery. While Large Language Models (LLMs) show promise as generalist models for MPP, their current performance remains below the threshold for practical adoption. We propose TreeKD, a novel knowledge distillation method that transfers complementary knowledge from tree-based specialist models into LLMs. Our approach trains specialist decision trees on functional group features, then verbalizes their learned predictive rules as natural language to enable rule-augmented context learning. This enables LLMs to leverage structural insights that are difficult to extract from SMILES strings alone. We further introduce rule-consistency, a test-time scaling technique inspired by bagging that ensembles predictions across diverse rules from a Random Forest. Experiments on 22 ADMET properties from the TDC benchmark demonstrate that TreeKD substantially improves LLM performance, narrowing the gap with SOTA specialist models and advancing toward practical generalist models for molecular property prediction.