Li Kong

Paula Rodriguez-Diaz, Lingkai Kong, Kai Wang et al. · harvard, microsoft-research

Comparing datasets is a fundamental task in machine learning, essential for various learning paradigms-from evaluating train and test datasets for model generalization to using dataset similarity for detecting data drift. While traditional notions of dataset distances offer principled measures of similarity, their utility has largely been assessed through prediction error minimization. However, in Predict-then-Optimize (PtO) frameworks, where predictions serve as inputs for downstream optimization tasks, model performance is measured through decision regret rather than prediction error. In this work, we propose OTD$^3$ (Optimal Transport Decision-aware Dataset Distance), a novel dataset distance that incorporates downstream decisions in addition to features and labels. We show that traditional feature-label distances lack informativeness in PtO settings, while OTD$^3$ more effectively captures adaptation success. We also derive a PtO-specific adaptation bound based on this distance. Empirically, we show that our proposed distance accurately predicts model transferability across three different PtO tasks from the literature. The code is available at https://github.com/paularodr/OTD3.

Shresth Verma, Niclas Boehmer, Lingkai Kong et al.

LLMs are increasingly used to design reward functions based on human preferences in Reinforcement Learning (RL). We focus on LLM-designed rewards for Restless Multi-Armed Bandits, a framework for allocating limited resources among agents. In applications such as public health, this approach empowers grassroots health workers to tailor automated allocation decisions to community needs. In the presence of multiple agents, altering the reward function based on human preferences can impact subpopulations very differently, leading to complex tradeoffs and a multi-objective resource allocation problem. We are the first to present a principled method termed Social Choice Language Model for dealing with these tradeoffs for LLM-designed rewards for multiagent planners in general and restless bandits in particular. The novel part of our model is a transparent and configurable selection component, called an adjudicator, external to the LLM that controls complex tradeoffs via a user-selected social welfare function. Our experiments demonstrate that our model reliably selects more effective, aligned, and balanced reward functions compared to purely LLM-based approaches.

Sarah Martinson, Lingkai Kong, Cheol Woo Kim et al.

Agent-based simulation is crucial for modeling complex human behavior, yet traditional approaches require extensive domain knowledge and large datasets. In data-scarce healthcare settings where historic and counterfactual data are limited, large language models (LLMs) offer a promising alternative by leveraging broad world knowledge. This study examines an LLM-driven simulation of a maternal mobile health program, predicting beneficiaries' listening behavior when they receive health information via automated messages (control) or live representatives (intervention). Since uncertainty quantification is critical for decision-making in health interventions, we propose an LLM epistemic uncertainty estimation method based on binary entropy across multiple samples. We enhance model robustness through ensemble approaches, improving F1 score and model calibration compared to individual models. Beyond direct evaluation, we take a decision-focused approach, demonstrating how LLM predictions inform intervention feasibility and trial implementation in data-limited settings. The proposed method extends to public health, disaster response, and other domains requiring rapid intervention assessment under severe data constraints. All code and prompts used for this work can be found at https://github.com/sarahmart/LLM-ABS-ARMMAN-prediction.

Lingkai Kong, Molei Tao, Yang Liu et al.

Flow-based Generative Models (FGMs) effectively transform noise into complex data distributions. Incorporating Optimal Transport (OT) to couple noise and data during FGM training has been shown to improve the straightness of flow trajectories, enabling more effective inference. However, existing OT-based methods estimate the OT plan using (mini-)batches of sampled noise and data points, which limits their scalability to large and high-dimensional datasets in FGMs. This paper introduces AlignFlow, a novel approach that leverages Semi-Discrete Optimal Transport (SDOT) to enhance the training of FGMs by establishing an explicit, optimal alignment between noise distribution and data points with guaranteed convergence. SDOT computes a transport map by partitioning the noise space into Laguerre cells, each mapped to a corresponding data point. During FGM training, i.i.d. noise samples are paired with data points via the SDOT map. AlignFlow scales well to large datasets and model architectures with negligible computational overhead. Experimental results show that AlignFlow improves the performance of a wide range of state-of-the-art FGM algorithms and can be integrated as a plug-and-play component. Code is available at: https://github.com/konglk1203/AlignFlow.

Lingkai Kong, Haichuan Wang, Tonghan Wang et al.

Incorporating pre-collected offline data from a source environment can significantly improve the sample efficiency of reinforcement learning (RL), but this benefit is often challenged by discrepancies between the transition dynamics of the source and target environments. Existing methods typically address this issue by penalizing or filtering out source transitions in high dynamics-gap regions. However, their estimation of the dynamics gap often relies on KL divergence or mutual information, which can be ill-defined when the source and target dynamics have disjoint support. To overcome these limitations, we propose CompFlow, a method grounded in the theoretical connection between flow matching and optimal transport. Specifically, we model the target dynamics as a conditional flow built upon the output distribution of the source-domain flow, rather than learning it directly from a Gaussian prior. This composite structure offers two key advantages: (1) improved generalization for learning target dynamics, and (2) a principled estimation of the dynamics gap via the Wasserstein distance between source and target transitions. Leveraging our principled estimation of the dynamics gap, we further introduce an optimistic active data collection strategy that prioritizes exploration in regions of high dynamics gap, and theoretically prove that it reduces the performance disparity with the optimal policy. Empirically, CompFlow outperforms strong baselines across several RL benchmarks with shifted dynamics.

Lingkai Kong, Haichuan Wang, Charles A. Emogor et al.

Poaching poses significant threats to wildlife and biodiversity. A valuable step in reducing poaching is to forecast poacher behavior, which can inform patrol planning and other conservation interventions. Existing poaching prediction methods based on linear models or decision trees lack the expressivity to capture complex, nonlinear spatiotemporal patterns. Recent advances in generative modeling, particularly flow matching, offer a more flexible alternative. However, training such models on real-world poaching data faces two central obstacles: imperfect detection of poaching events and limited data. To address imperfect detection, we integrate flow matching with an occupancy-based detection model and train the flow in latent space to infer the underlying occupancy state. To mitigate data scarcity, we adopt a composite flow initialized from a linear-model prediction rather than random noise which is the standard in diffusion models, injecting prior knowledge and improving generalization. Evaluations on datasets from two national parks in Uganda show consistent gains in predictive accuracy.

Cheol Woo Kim, Jai Moondra, Shresth Verma et al.

In many real-world applications of reinforcement learning (RL), deployed policies have varied impacts on different stakeholders, creating challenges in reaching consensus on how to effectively aggregate their preferences. Generalized $p$-means form a widely used class of social welfare functions for this purpose, with broad applications in fair resource allocation, AI alignment, and decision-making. This class includes well-known welfare functions such as Egalitarian, Nash, and Utilitarian welfare. However, selecting the appropriate social welfare function is challenging for decision-makers, as the structure and outcomes of optimal policies can be highly sensitive to the choice of $p$. To address this challenge, we study the concept of an $α$-approximate portfolio in RL, a set of policies that are approximately optimal across the family of generalized $p$-means for all $p \in [-\infty, 1]$. We propose algorithms to compute such portfolios and provide theoretical guarantees on the trade-offs among approximation factor, portfolio size, and computational efficiency. Experimental results on synthetic and real-world datasets demonstrate the effectiveness of our approach in summarizing the policy space induced by varying $p$ values, empowering decision-makers to navigate this landscape more effectively.