医疗政策建模

Learning the optimal policy to balance multiple short-term and long-term rewards has extensive applications across various domains. Yet, there is a noticeable scarcity of research addressing policy learning strategies in this context. In this paper, we aim to learn the optimal policy capable of effectively balancing multiple short-term and long-term rewards, especially in scenarios where the long-term outcomes are often missing due to data collection challenges over extended periods. Towards this goal, the conventional linear weighting method, which aggregates multiple rewards into a single surrogate reward through weighted summation, can only achieve sub-optimal policies when multiple rewards are related. Motivated by this, we propose a novel decomposition-based policy learning (DPPL) method that converts the whole problem into subproblems. The DPPL method is capable of obtaining optimal policies even when multiple rewards are interrelated. Nevertheless, the DPPL method requires a set of preference vectors specified in advance, posing challenges in practical applications where selecting suitable preferences is non-trivial. To mitigate this, we further theoretically transform the optimization problem in DPPL into an $\varepsilon$-constraint problem, where $\varepsilon$ represents the minimum acceptable levels of other rewards while maximizing one reward. This transformation provides intuitive into the selection of preference vectors. Extensive experiments are conducted on the proposed method and the results validate the effectiveness of the method.

This work investigates the offline formulation of the contextual bandit problem, where the goal is to leverage past interactions collected under a behavior policy to evaluate, select, and learn new, potentially better-performing, policies. Motivated by critical applications, we move beyond point estimators. Instead, we adopt the principle of _pessimism_ where we construct upper bounds that assess a policy's worst-case performance, enabling us to confidently select and learn improved policies. Precisely, we introduce novel, fully empirical concentration bounds for a broad class of importance weighting risk estimators. These bounds are general enough to cover most existing estimators and pave the way for the development of new ones. In particular, our pursuit of the tightest bound within this class motivates a novel estimator (LS), that _logarithmically smoothes_ large importance weights. The bound for LS is provably tighter than its competitors, and naturally results in improved policy selection and learning strategies. Extensive policy evaluation, selection, and learning experiments highlight the versatility and favorable performance of LS.

Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural design and lack of supervision, PLMs model mutations implicitly with evolutionary plausibility, which is not satisfactory to serve as explainable and engineerable tools in real-world studies. To address these issues, we present MutaPLM, a unified framework for interpreting and navigating protein mutations with protein language models. MutaPLM introduces a protein *delta* network that captures explicit protein mutation representations within a unified feature space, and a transfer learning pipeline with a chain-of-thought (CoT) strategy to harvest protein mutation knowledge from biomedical texts. We also construct MutaDescribe, the first large-scale protein mutation dataset with rich textual annotations, which provides cross-modal supervision signals. Through comprehensive experiments, we demonstrate that MutaPLM excels at providing human-understandable explanations for mutational effects and prioritizing novel mutations with desirable properties. Our code, model, and data are open-sourced at https://github.com/PharMolix/MutaPLM.

Collaborative perception is dedicated to tackling the constraints of single-agent perception, such as occlusions, based on the multiple agents' multi-view sensor inputs. However, most existing works assume an ideal condition that all agents' multi-view cameras are continuously available. In reality, cameras may be highly noisy, obscured or even failed during the collaboration. In this work, we introduce a new robust camera-insensitivity problem: how to overcome the issues caused by the failed camera perspectives, while stabilizing high collaborative performance with low calibration cost? To address above problems, we propose RCDN, a Robust Camera-insensitivity collaborative perception with a novel Dynamic feature-based 3D Neural modeling mechanism. The key intuition of RCDN is to construct collaborative neural rendering field representations to recover failed perceptual messages sent by multiple agents. To better model collaborative neural rendering field, RCDN first establishes a geometry BEV feature based time-invariant static field with other agents via fast hash grid modeling. Based on the static background field, the proposed time-varying dynamic field can model corresponding motion vector for foregrounds with appropriate positions. To validate RCDN, we create OPV2V-N, a new large-scale dataset with manual labelling under different camera failed scenarios. Extensive experiments conducted on OPV2V-N show that RCDN can be ported to other baselines and improve their robustness in extreme camera-insensitivity setting. Our code and datasets will be available soon.

Rewards are a critical aspect of formulating Reinforcement Learning (RL) problems; often, one may be interested in testing multiple reward functions, or the problem may naturally involve multiple rewards. In this study, we investigate the _Multi-Reward Best Policy Identification_ (MR-BPI) problem, where the goal is to determine the best policy for all rewards in a given set $\mathcal{R}$ with minimal sample complexity and a prescribed confidence level. We derive a fundamental instance-specific lower bound on the sample complexity required by any Probably Correct (PC) algorithm in this setting. This bound guides the design of an optimal exploration policy attaining minimal sample complexity. However, this lower bound involves solving a hard non-convex optimization problem. We address this challenge by devising a convex approximation, enabling the design of sample-efficient algorithms. We propose MR-NaS, a PC algorithm with competitive performance on hard-exploration tabular environments. Extending this approach to Deep RL (DRL), we also introduce DBMR-BPI, an efficient algorithm for model-free exploration in multi-reward settings.

In many reinforcement learning (RL) applications, incorporating heuristic rewards alongside the task reward is crucial for achieving desirable performance. Heuristics encode prior human knowledge about how a task should be done, providing valuable hints for RL algorithms. However, such hints may not be optimal, limiting the performance of learned policies. The currently established way of using heuristics is to modify the heuristic reward in a manner that ensures that the optimal policy learned with it remains the same as the optimal policy for the task reward (i.e., optimal policy invariance). However, these methods often fail in practical scenarios with limited training data. We found that while optimal policy invariance ensures convergence to the best policy based on task rewards, it doesn't guarantee better performance than policies trained with biased heuristics under a finite data regime, which is impractical. In this paper, we introduce a new principle tailored for finite data settings. Instead of enforcing optimal policy invariance, we train a policy that combines task and heuristic rewards and ensures it outperforms the heuristic-trained policy. As such, we prevent policies from merely exploiting heuristic rewards without improving the task reward. Our experiments on robotic locomotion, helicopter control, and manipulation tasks demonstrate that our method consistently outperforms the heuristic policy, regardless of the heuristic rewards' quality. Code is available at https://github.com/Improbable-AI/hepo.

Diffusion-based imitation learning improves Behavioral Cloning (BC) on multi-modal decision-making, but comes at the cost of significantly slower inference due to the recursion in the diffusion process. It urges us to design efficient policy generators while keeping the ability to generate diverse actions. To address this challenge, we propose AdaFlow, an imitation learning framework based on flow-based generative modeling. AdaFlow represents the policy with state-conditioned ordinary differential equations (ODEs), which are known as probability flows. We reveal an intriguing connection between the conditional variance of their training loss and the discretization error of the ODEs. With this insight, we propose a variance-adaptive ODE solver that can adjust its step size in the inference stage, making AdaFlow an adaptive decision-maker, offering rapid inference without sacrificing diversity. Interestingly, it automatically reduces to a one-step generator when the action distribution is uni-modal. Our comprehensive empirical evaluation shows that AdaFlow achieves high performance with fast inference speed.

We consider the task of learning how to act in collaboration with a human expert based on observational data. The task is motivated by high-stake scenarios such as healthcare and welfare where algorithmic action recommendations are made to a human expert, opening the option of deferring making a recommendation in cases where the human might act better on their own. This task is especially challenging when dealing with observational data, as using such data runs the risk of hidden confounders whose existence can lead to biased and harmful policies. However, unlike standard policy learning, the presence of a human expert can mitigate some of these risks. We build on the work of Mozannar and Sontag (2020) on consistent surrogate loss for learning with the option of deferral to an expert, where they solve a cost-sensitive supervised classification problem. Since we are solving a causal problem, where labels don’t exist, we use a causal model to learn costs which are robust to a bounded degree of hidden confounding. We prove that our approach can take advantage of the strengths of both the model and the expert to obtain a better policy than either. We demonstrate our results by conducting experiments on synthetic and semi-synthetic data and show the advantages of our method compared to baselines.

Real-world decision-making tasks are usually partially observable Markov decision processes (POMDPs), where the state is not fully observable. Recent progress has demonstrated that recurrent reinforcement learning (RL), which consists of a context encoder based on recurrent neural networks (RNNs) for unobservable state prediction and a multilayer perceptron (MLP) policy for decision making, can mitigate partial observability and serve as a robust baseline for POMDP tasks. However, prior recurrent RL algorithms have faced issues with training instability. In this paper, we find that this instability stems from the autoregressive nature of RNNs, which causes even small changes in RNN parameters to produce large output variations over long trajectories. Therefore, we propose **R**ecurrent Off-policy RL with Context-**E**ncoder-**S**p**e**cific **L**earning Rate (RESeL) to tackle this issue. Specifically, RESeL uses a lower learning rate for context encoder than other MLP layers to ensure the stability of the former while maintaining the training efficiency of the latter. We integrate this technique into existing off-policy RL methods, resulting in the RESeL algorithm. We evaluated RESeL in 18 POMDP tasks, including classic, meta-RL, and credit assignment scenarios, as well as five MDP locomotion tasks. The experiments demonstrate significant improvements in training stability with RESeL. Comparative results show that RESeL achieves notable performance improvements over previous recurrent RL baselines in POMDP tasks, and is competitive with or even surpasses state-of-the-art methods in MDP tasks. Further ablation studies highlight the necessity of applying a distinct learning rate for the context encoder. Code is available at https://github.com/FanmingL/Recurrent-Offpolicy-RL.

Meta-reinforcement learning (Meta-RL) has attracted attention due to its capability to enhance reinforcement learning (RL) algorithms, in terms of data efficiency and generalizability. In this paper, we develop a bilevel optimization framework for meta-RL (BO-MRL) to learn the meta-prior for task-specific policy adaptation, which implements multiple-step policy optimization on one-time data collection. Beyond existing meta-RL analyses, we provide upper bounds of the expected optimality gap over the task distribution. This metric measures the distance of the policy adaptation from the learned meta-prior to the task-specific optimum, and quantifies the model's generalizability to the task distribution. We empirically validate the correctness of the derived upper bounds and demonstrate the superior effectiveness of the proposed algorithm over benchmarks.

Policy Mirror Descent (PMD) stands as a versatile algorithmic framework encompassing several seminal policy gradient algorithms such as natural policy gradient, with connections with state-of-the-art reinforcement learning (RL) algorithms such as TRPO and PPO. PMD can be seen as a soft Policy Iteration algorithm implementing regularized 1-step greedy policy improvement. However, 1-step greedy policies might not be the best choice and recent remarkable empirical successes in RL such as AlphaGo and AlphaZero have demonstrated that greedy approaches with respect to multiple steps outperform their 1-step counterpart. In this work, we propose a new class of PMD algorithms called $h$-PMD which incorporates multi-step greedy policy improvement with lookahead depth $h$ to the PMD update rule. To solve discounted infinite horizon Markov Decision Processes with discount factor $\gamma$, we show that $h$-PMD which generalizes the standard PMD enjoys a faster dimension-free $\gamma^h$-linear convergence rate, contingent on the computation of multi-step greedy policies. We propose an inexact version of $h$-PMD where lookahead action values are estimated. Under a generative model, we establish a sample complexity for $h$-PMD which improves over prior work. Finally, we extend our result to linear function approximation to scale to large state spaces. Under suitable assumptions, our sample complexity only involves dependence on the dimension of the feature map space instead of the state space size.

Modeling multivariate time series is a well-established problem with a wide range of applications from healthcare to financial markets. It, however, is challenging as it requires methods to (1) have high expressive power of representing complicated dependencies along the time axis to capture both long-term progression and seasonal patterns, (2) capture the inter-variate dependencies when it is informative, (3) dynamically model the dependencies of variate and time dimensions, and (4) have efficient training and inference for very long sequences. Traditional State Space Models (SSMs) are classical approaches for univariate time series modeling due to their simplicity and expressive power to represent linear dependencies. They, however, have fundamentally limited expressive power to capture non-linear dependencies, are slow in practice, and fail to model the inter-variate information flow. Despite recent attempts to improve the expressive power of SSMs by using deep structured SSMs, the existing methods are either limited to univariate time series, fail to model complex patterns (e.g., seasonal patterns), fail to dynamically model the dependencies of variate and time dimensions, and/or are input-independent. We present Chimera, an expressive variation of the 2-dimensional SSMs with careful design of parameters to maintain high expressive power while keeping the training complexity linear. Using two SSM heads with different discretization processes and input-dependent parameters, Chimera is provably able to learn long-term progression, seasonal patterns, and desirable dynamic autoregressive processes. To improve the efficiency of complex 2D recurrence, we present a fast training using a new 2-dimensional parallel selective scan. Our experimental evaluation shows the superior performance of Chimera on extensive and diverse benchmarks, including ECG and speech time series classification, long-term and short-term time series forecasting, and time series anomaly detection.

Data-driven models learned often struggle to generalize due to widespread subpopulation shifts, especially the presence of both spurious correlations and group imbalance (SC-GI). To learn models more powerful for defending against SC-GI, we propose a {\bf Correlation-Oriented Disentanglement and Augmentation (CODA)} modeling scheme, which includes two unique developments: (1) correlation-oriented disentanglement and (2) strategic sample augmentation with reweighted consistency (RWC) loss. In (1), a bi-branch encoding process is developed to enable the disentangling of variant and invariant correlations by coordinating with a decoy classifier and the decoder reconstruction. In (2), a strategic sample augmentation based on disentangled latent features with RWC loss is designed to reinforce the training of a more generalizable model. The effectiveness of CODA is verified by benchmarking against a set of SOTA models in terms of worst-group accuracy and maximum group accuracy gap based on two famous datasets, ColoredMNIST and CelebA.

Reinforcement Learning (RL) encompasses diverse paradigms, including model-based RL, policy-based RL, and value-based RL, each tailored to approximate the model, optimal policy, and optimal value function, respectively. This work investigates the potential hierarchy of representation complexity among these RL paradigms. By utilizing computational complexity measures, including time complexity and circuit complexity, we theoretically unveil a potential representation complexity hierarchy within RL. We find that representing the model emerges as the easiest task, followed by the optimal policy, while representing the optimal value function presents the most intricate challenge. Additionally, we reaffirm this hierarchy from the perspective of the expressiveness of Multi-Layer Perceptrons (MLPs), which align more closely with practical deep RL and contribute to a completely new perspective in theoretical studying representation complexity in RL. Finally, we conduct deep RL experiments to validate our theoretical findings.

Spiking neural networks (SNNs) represent a promising approach to developing artificial neural networks that are both energy-efficient and biologically plausible. However, applying SNNs to sequential tasks, such as text classification and time-series forecasting, has been hindered by the challenge of creating an effective and hardware-friendly spike-form positional encoding (PE) strategy. Drawing inspiration from the central pattern generators (CPGs) in the human brain, which produce rhythmic patterned outputs without requiring rhythmic inputs, we propose a novel PE technique for SNNs, termed CPG-PE. We demonstrate that the commonly used sinusoidal PE is mathematically a specific solution to the membrane potential dynamics of a particular CPG. Moreover, extensive experiments across various domains, including time-series forecasting, natural language processing, and image classification, show that SNNs with CPG-PE outperform their conventional counterparts. Additionally, we perform analysis experiments to elucidate the mechanism through which SNNs encode positional information and to explore the function of CPGs in the human brain. This investigation may offer valuable insights into the fundamental principles of neural computation.

Multimodal learning has gained increasing importance across various fields, offering the ability to integrate data from diverse sources such as images, text, and personalized records, which are frequently observed in medical domains. However, in scenarios where some modalities are missing, many existing frameworks struggle to accommodate arbitrary modality combinations, often relying heavily on a single modality or complete data. This oversight of potential modality combinations limits their applicability in real-world situations. To address this challenge, we propose Flex-MoE (Flexible Mixture-of-Experts), a new framework designed to flexibly incorporate arbitrary modality combinations while maintaining robustness to missing data. The core idea of Flex-MoE is to first address missing modalities using a new missing modality bank that integrates observed modality combinations with the corresponding missing ones. This is followed by a uniquely designed Sparse MoE framework. Specifically, Flex-MoE first trains experts using samples with all modalities to inject generalized knowledge through the generalized router ($\mathcal{G}$-Router). The $\mathcal{S}$-Router then specializes in handling fewer modality combinations by assigning the top-1 gate to the expert corresponding to the observed modality combination. We evaluate Flex-MoE on the ADNI dataset, which encompasses four modalities in the Alzheimer's Disease domain, as well as on the MIMIC-IV dataset. The results demonstrate the effectiveness of Flex-MoE, highlighting its ability to model arbitrary modality combinations in diverse missing modality scenarios. Code is available at: \url{https://github.com/UNITES-Lab/flex-moe}.

Diffusion policy has shown a strong ability to express complex action distributions in offline reinforcement learning (RL). However, it suffers from overestimating Q-value functions on out-of-distribution (OOD) data points due to the offline dataset limitation. To address it, this paper proposes a novel entropy-regularized diffusion policy and takes into account the confidence of the Q-value prediction with Q-ensembles. At the core of our diffusion policy is a mean-reverting stochastic differential equation (SDE) that transfers the action distribution into a standard Gaussian form and then samples actions conditioned on the environment state with a corresponding reverse-time process. We show that the entropy of such a policy is tractable and that can be used to increase the exploration of OOD samples in offline RL training. Moreover, we propose using the lower confidence bound of Q-ensembles for pessimistic Q-value function estimation. The proposed approach demonstrates state-of-the-art performance across a range of tasks in the D4RL benchmarks, significantly improving upon existing diffusion-based policies. The code is available at https://github.com/ruoqizzz/entropy-offlineRL.

Allocation tasks represent a class of problems where a limited amount of resources must be allocated to a set of entities at each time step. Prominent examples of this task include portfolio optimization or distributing computational workloads across servers. Allocation tasks are typically bound by linear constraints describing practical requirements that have to be strictly fulfilled at all times. In portfolio optimization, for example, investors may be obligated to allocate less than 30\% of the funds into a certain industrial sector in any investment period. Such constraints restrict the action space of allowed allocations in intricate ways, which makes learning a policy that avoids constraint violations difficult. In this paper, we propose a new method for constrained allocation tasks based on an autoregressive process to sequentially sample allocations for each entity. In addition, we introduce a novel de-biasing mechanism to counter the initial bias caused by sequential sampling. We demonstrate the superior performance of our approach compared to a variety of Constrained Reinforcement Learning (CRL) methods on three distinct constrained allocation tasks: portfolio optimization, computational workload distribution, and a synthetic allocation benchmark. Our code is available at: https://github.com/niklasdbs/paspo

Single-cell RNA sequencing (scRNA-seq) technologies enable the exploration of cellular heterogeneity and facilitate the construction of cell atlases. However, scRNA-seq data often contain a large portion of missing values (false zeros) or noisy values, hindering downstream analyses. To recover these false zeros, propagation-based imputation methods have been proposed using $k$-NN graphs. However they model only associating relationships among genes within a cell, while, according to well-known genetic evidence, there are both associating and dissociating relationships among genes. To apply this genetic evidence to gene-gene relationship modeling, this paper proposes a novel imputation method that newly employs dissociating relationships in addition to associating relationships. Our method constructs a $k$-NN graph to additionally model dissociating relationships via the negation of a given cell-gene matrix. Moreover, our method standardizes the value distribution (mean and variance) of each gene to have standard distributions regardless of the gene. Through extensive experiments, we demonstrate that the proposed method achieves exceptional performance gains over state-of-the-art methods in both cell clustering and gene expression recovery across six scRNA-seq datasets, validating the significance of using complete gene-gene relationships in accordance with genetic evidence. The source code is available at https://github.com/daehoum1/scCR.

Mobile health leverages personalized and contextually tailored interventions optimized through bandit and reinforcement learning algorithms. In practice, however, challenges such as participant heterogeneity, nonstationarity, and nonlinear relationships hinder algorithm performance. We propose RoME, a **Ro**bust **M**ixed-**E**ffects contextual bandit algorithm that simultaneously addresses these challenges via (1) modeling the differential reward with user- and time-specific random effects, (2) network cohesion penalties, and (3) debiased machine learning for flexible estimation of baseline rewards. We establish a high-probability regret bound that depends solely on the dimension of the differential-reward model, enabling us to achieve robust regret bounds even when the baseline reward is highly complex. We demonstrate the superior performance of the RoME algorithm in a simulation and two off-policy evaluation studies.