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Morris Sharp

Publications and source records attributed to Morris Sharp.

3 recordsLinked to original sources

Closed-Loop Molecular Design with Calibrated Deference

We present Cognitive Loop via In-Situ Optimization (CLIO), an agent that couples a continuously-updated belief-state graph with a recursive plan-then-act loop. The result is a reasoning agent that can contribute something qualitatively different, which we term \emph{calibrated deference}: the capacity to recognize when its own tools or assumptions are failing, to adapt its strategy in response, and to generate mechanistic hypotheses that guide experimental revision. We tested CLIO in a closed-loop human-AI campaign to design an aqueous organic redox flow battery (AORFB) negolyte, with CLIO leading proposal and interpretation in close partnership with chemists who synthesized, characterized, and weighed in on design choices. Across 17 candidates over three rounds, CLIO converged on a top phosphonate candidate; characterization confirmed a 130~mV improvement in redox potential over the literature baseline. Characterization then revealed unexpectedly poor electrochemical reversibility -- a regression no property predictor had flagged. CLIO generated competing mechanistic hypotheses, prioritized discriminating diagnostics, traced the failure to phosphonate-potassium ion pairing, and prescribed a sulfonate replacement. The resulting compound showed substantially improved electrochemical reversibility and maintained a 90~mV improvement in redox potential, closing the design-make-test-redesign loop.

cs.CE

DP-RFT: Learning to Generate Synthetic Text via Differentially Private Reinforcement Fine-Tuning

Differentially private (DP) synthetic data generation plays a pivotal role in developing large language models (LLMs) on private data, where data owners cannot provide eyes-on access to individual examples. Generating DP synthetic data typically involves a difficult trade-off. On one hand, DP finetuning methods train an LLM as a synthetic data generator with formal privacy guarantees, yet it still requires the raw content of private examples for model training. However, methods that avoid direct exposure to private data are bounded by an off-the-shelf, un-finetuned model, whose outputs often lack domain fidelity. Can we train an LLM to generate high-quality synthetic text without eyes-on access to individual private examples? In this work, we introduce Differentially Private Reinforcement Fine-Tuning (DP-RFT), an online reinforcement learning algorithm for synthetic data generation with LLMs. DP-RFT leverages DP-protected nearest-neighbor votes from an eyes-off private corpus as a reward signal for on-policy synthetic samples generated by an LLM. The LLM iteratively learns to generate synthetic data to maximize the expected DP votes through Proximal Policy Optimization (PPO). We evaluate DP-RFT for long-form and domain-specific synthetic data generation, such as news articles, meeting transcripts, and medical article abstracts. Our experiments show that DP-RFT closes the gap between private evolution and DP finetuning methods in terms of the fidelity and downstream utility of the generated synthetic data, while respecting the private data boundary.

cs.CL

RAG vs Fine-tuning: Pipelines, Tradeoffs, and a Case Study on Agriculture

There are two common ways in which developers are incorporating proprietary and domain-specific data when building applications of Large Language Models (LLMs): Retrieval-Augmented Generation (RAG) and Fine-Tuning. RAG augments the prompt with the external data, while fine-Tuning incorporates the additional knowledge into the model itself. However, the pros and cons of both approaches are not well understood. In this paper, we propose a pipeline for fine-tuning and RAG, and present the tradeoffs of both for multiple popular LLMs, including Llama2-13B, GPT-3.5, and GPT-4. Our pipeline consists of multiple stages, including extracting information from PDFs, generating questions and answers, using them for fine-tuning, and leveraging GPT-4 for evaluating the results. We propose metrics to assess the performance of different stages of the RAG and fine-Tuning pipeline. We conduct an in-depth study on an agricultural dataset. Agriculture as an industry has not seen much penetration of AI, and we study a potentially disruptive application - what if we could provide location-specific insights to a farmer? Our results show the effectiveness of our dataset generation pipeline in capturing geographic-specific knowledge, and the quantitative and qualitative benefits of RAG and fine-tuning. We see an accuracy increase of over 6 p.p. when fine-tuning the model and this is cumulative with RAG, which increases accuracy by 5 p.p. further. In one particular experiment, we also demonstrate that the fine-tuned model leverages information from across geographies to answer specific questions, increasing answer similarity from 47% to 72%. Overall, the results point to how systems built using LLMs can be adapted to respond and incorporate knowledge across a dimension that is critical for a specific industry, paving the way for further applications of LLMs in other industrial domains.

cs.CL