Richard A. Young

Brian Belgodere, Vijil Chenthamarakshan, Payel Das et al. · ibm-research

With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen molecules of interest. For this purpose, molecular embeddings inferred from a recently proposed large chemical language model, named MolFormer, are leveraged. The platform currently supports three tasks: nearest neighbor retrieval, chemical space visualization, and property prediction. Based on the functionalities of this platform and results obtained, we believe that such a platform can play a pivotal role in automating chemistry and chemical engineering research, as well as assist in drug discovery and material design tasks. A demo of our platform is provided at \url{www.ibm.biz/molecular_demo}.

Brian Belgodere, Pierre Dognin, Adam Ivankay et al. · ibm-research

Real-world data often exhibits bias, imbalance, and privacy risks. Synthetic datasets have emerged to address these issues. This paradigm relies on generative AI models to generate unbiased, privacy-preserving data while maintaining fidelity to the original data. However, assessing the trustworthiness of synthetic datasets and models is a critical challenge. We introduce a holistic auditing framework that comprehensively evaluates synthetic datasets and AI models. It focuses on preventing bias and discrimination, ensures fidelity to the source data, assesses utility, robustness, and privacy preservation. We demonstrate the framework's effectiveness by auditing various generative models across diverse use cases like education, healthcare, banking, and human resources, spanning different data modalities such as tabular, time-series, vision, and natural language. This holistic assessment is essential for compliance with regulatory safeguards. We introduce a trustworthiness index to rank synthetic datasets based on their safeguards trade-offs. Furthermore, we present a trustworthiness-driven model selection and cross-validation process during training, exemplified with "TrustFormers" across various data types. This approach allows for controllable trustworthiness trade-offs in synthetic data creation. Our auditing framework fosters collaboration among stakeholders, including data scientists, governance experts, internal reviewers, external certifiers, and regulators. This transparent reporting should become a standard practice to prevent bias, discrimination, and privacy violations, ensuring compliance with policies and providing accountability, safety, and performance guarantees.

Pierre Dognin, Igor Melnyk, Youssef Mroueh et al.

Image captioning has recently demonstrated impressive progress largely owing to the introduction of neural network algorithms trained on curated dataset like MS-COCO. Often work in this field is motivated by the promise of deployment of captioning systems in practical applications. However, the scarcity of data and contexts in many competition datasets renders the utility of systems trained on these datasets limited as an assistive technology in real-world settings, such as helping visually impaired people navigate and accomplish everyday tasks. This gap motivated the introduction of the novel VizWiz dataset, which consists of images taken by the visually impaired and captions that have useful, task-oriented information. In an attempt to help the machine learning computer vision field realize its promise of producing technologies that have positive social impact, the curators of the VizWiz dataset host several competitions, including one for image captioning. This work details the theory and engineering from our winning submission to the 2020 captioning competition. Our work provides a step towards improved assistive image captioning systems.