Shivam Patel

Albert Bou, Morgan Thomas, Sebastian Dittert et al.

In recent years, reinforcement learning (RL) has emerged as a valuable tool in drug design, offering the potential to propose and optimize molecules with desired properties. However, striking a balance between capabilities, flexibility, reliability, and efficiency remains challenging due to the complexity of advanced RL algorithms and the significant reliance on specialized code. In this work, we introduce ACEGEN, a comprehensive and streamlined toolkit tailored for generative drug design, built using TorchRL, a modern RL library that offers thoroughly tested reusable components. We validate ACEGEN by benchmarking against other published generative modeling algorithms and show comparable or improved performance. We also show examples of ACEGEN applied in multiple drug discovery case studies. ACEGEN is accessible at \url{https://github.com/acellera/acegen-open} and available for use under the MIT license.

Shivam Patel, Neharika Jali, Ankur Mallick et al.

Large language model (LLM) query routers are critical to modern AI platforms as they seek to improve efficiency by assigning inference queries to accurate, yet low-cost models. Parametric routers typically use trained neural networks for LLM selection but suffer from retraining and maintenance overheads. Nonparametric routers are training-free, instead estimating LLM accuracy and cost via similarity between encodings of the input query and training set queries. However, like their parametric counterparts, nonparametric routers struggle to generalize to outlier queries, an issue exacerbated by limited diversity in training sets which are costly to expand and difficult to keep current with ever-evolving use cases. We propose ProxRouter, which applies an exponentially tilted aggregation mechanism to balance bias and variance in nonparametric routers, improving their robustness to outliers. Experiments show ProxRouter enhances outlier routing while preserving inlier performance with minimal overhead.

Sayantan Adak, Atharva Vyas, Animesh Mukherjee et al.

We introduce an AI-enabled portal that presents an excellent visualization of Mahatma Gandhi's life events by constructing temporal and spatial social networks from the Gandhian literature. Applying an ensemble of methods drawn from NLTK, Polyglot and Spacy we extract the key persons and places that find mentions in Gandhi's written works. We visualize these entities and connections between them based on co-mentions within the same time frame as networks in an interactive web portal. The nodes in the network, when clicked, fire search queries about the entity and all the information about the entity presented in the corresponding book from which the network is constructed, are retrieved and presented back on the portal. Overall, this system can be used as a digital and user-friendly resource to study Gandhian literature.