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Researcher profile

Simon S. Du

Simon S. Du contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Machine LearningArtificial Intelligencemath.OCComputer VisionComputer Science and Game TheoryComputationComputational ComplexityData Structures and AlgorithmsNeural and Evolutionary ComputingRoboticsSoftware Engineering

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Published work

27 published item(s)

preprint2026arXiv

MLS-Bench: A Holistic and Rigorous Assessment of AI Systems on Building Better AI

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is increasingly important to understand whether they can discover such methods rather than only apply existing ones. We introduce MLS-Bench, a benchmark for evaluating whether AI systems can invent generalizable and scalable ML methods. MLS-Bench contains 140 tasks across 12 domains, each requiring an agent to improve one targeted component of an ML system or algorithm and demonstrate that the improvement generalizes across controlled settings and scales. We find that current agents remain far from reliably surpassing human-designed methods, and that engineering-style tuning is easier for them than genuine method invention. We further study the effects of test-time scaling, adaptive compute allocation, and context provision on agents' discovery performance, together with case studies of their behavior. Our analyses suggest that the bottleneck is not only in proposing new methods, but also in the scientific insight needed to plan, validate, and scale claims about them. More search, compute, or context alone does not remove this bottleneck. We build and maintain a community platform for cumulative and comparable iteration, and release the data and code at https://mls-bench.com.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

PBT-Bench: Benchmarking AI Agents on Property-Based Testing

Existing code benchmarks measure whether an agent can produce any test that reproduces a known bug, or whether it can produce a patch that fixes a described issue. Neither isolates the distinct skill of property-based testing: deriving a semantic invariant from documentation, and then constructing an input-generation strategy precise enough to make a random search reveal the violation. We introduce PBT-Bench, a benchmark of 100 curated property-based testing problems across 40 real Python libraries. Each problem injects one or more semantic bugs (365 in total, mean 3.65 per problem) designed so that default-strategy random inputs almost never trigger them; the agent must read the library's documentation, identify the relevant invariant, and specify a Hypothesis @given strategy that concentrates mass in the trigger region. Bugs are stratified across three difficulty levels (L1-L3) spanning single-constraint boundary bugs to stateful, cross-function protocol violations. We evaluate eight contemporary LLMs under two prompting regimes (open-ended baseline vs. explicit Hypothesis scaffolding) for three independent runs per configuration. Bug recall under the PBT-guided prompt ranges from 42.1% to 83.4% across models; under the open-ended baseline, from 31.4% to 76.7%. Hypothesis scaffolding lifts mid-capability models by over 20 percentage points, but yields smaller gains for the strongest models, with two exceptions showing degradation, suggesting the structured prompt can interfere with certain model behaviours rather than complementing them. The hardest bugs prove model-specific: different architectures fail on different problems, leaving persistent gaps that no single model closes. We release the benchmark, harness, and full evaluation corpus to support downstream work on documentation-grounded semantic reasoning.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

Unregularized Linear Convergence in Zero-Sum Game from Preference Feedback

Aligning large language models (LLMs) with human preferences has proven effective for enhancing model capabilities, yet standard preference modeling using the Bradley-Terry model assumes transitivity, overlooking the inherent complexity of human population preferences. Nash learning from human feedback (NLHF) addresses this by framing non-transitive preferences as a two-player zero-sum game, where alignment reduces to finding the Nash equilibrium (NE). However, existing algorithms typically rely on regularization, incurring unavoidable bias when computing the duality gap in the original game. In this work, we provide the first convergence guarantee for Optimistic Multiplicative Weights Update ($\mathtt{OMWU}$) in NLHF, showing that it achieves last-iterate linear convergence after a burn-in phase whenever an NE with full support exists, with an instance-dependent linear convergence rate to the original NE, measured by duality gaps. Compared to prior results in Wei et al. (2020), we do not require the assumption of NE uniqueness. Our analysis identifies a novel marginal convergence behavior, where the probability of rarely played actions grows exponentially from exponentially small values, enabling exponentially better dependence on instance-dependent constants than prior results. Experiments corroborate the theoretical strengths of $\mathtt{OMWU}$ in both tabular and neural policy classes, demonstrating its potential for LLM applications.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

A Reduction-Based Framework for Conservative Bandits and Reinforcement Learning

In this paper, we present a reduction-based framework for conservative bandits and RL, in which our core technique is to calculate the necessary and sufficient budget obtained from running the baseline policy. For lower bounds, we improve the existing lower bound for conservative multi-armed bandits and obtain new lower bounds for conservative linear bandits, tabular RL and low-rank MDP, through a black-box reduction that turns a certain lower bound in the nonconservative setting into a new lower bound in the conservative setting. For upper bounds, in multi-armed bandits, linear bandits and tabular RL, our new upper bounds tighten or match existing ones with significantly simpler analyses. We also obtain a new upper bound for conservative low-rank MDP.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Active Multi-Task Representation Learning

To leverage the power of big data from source tasks and overcome the scarcity of the target task samples, representation learning based on multi-task pretraining has become a standard approach in many applications. However, up until now, choosing which source tasks to include in the multi-task learning has been more art than science. In this paper, we give the first formal study on resource task sampling by leveraging the techniques from active learning. We propose an algorithm that iteratively estimates the relevance of each source task to the target task and samples from each source task based on the estimated relevance. Theoretically, we show that for the linear representation class, to achieve the same error rate, our algorithm can save up to a \textit{number of source tasks} factor in the source task sample complexity, compared with the naive uniform sampling from all source tasks. We also provide experiments on real-world computer vision datasets to illustrate the effectiveness of our proposed method on both linear and convolutional neural network representation classes. We believe our paper serves as an important initial step to bring techniques from active learning to representation learning.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Horizon-Free Reinforcement Learning in Polynomial Time: the Power of Stationary Policies

This paper gives the first polynomial-time algorithm for tabular Markov Decision Processes (MDP) that enjoys a regret bound \emph{independent on the planning horizon}. Specifically, we consider tabular MDP with $S$ states, $A$ actions, a planning horizon $H$, total reward bounded by $1$, and the agent plays for $K$ episodes. We design an algorithm that achieves an $O\left(\mathrm{poly}(S,A,\log K)\sqrt{K}\right)$ regret in contrast to existing bounds which either has an additional $\mathrm{polylog}(H)$ dependency~\citep{zhang2020reinforcement} or has an exponential dependency on $S$~\citep{li2021settling}. Our result relies on a sequence of new structural lemmas establishing the approximation power, stability, and concentration property of stationary policies, which can have applications in other problems related to Markov chains.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Nearly Horizon-Free Offline Reinforcement Learning

We revisit offline reinforcement learning on episodic time-homogeneous Markov Decision Processes (MDP). For tabular MDP with $S$ states and $A$ actions, or linear MDP with anchor points and feature dimension $d$, given the collected $K$ episodes data with minimum visiting probability of (anchor) state-action pairs $d_m$, we obtain nearly horizon $H$-free sample complexity bounds for offline reinforcement learning when the total reward is upper bounded by $1$. Specifically: 1. For offline policy evaluation, we obtain an $\tilde{O}\left(\sqrt{\frac{1}{Kd_m}} \right)$ error bound for the plug-in estimator, which matches the lower bound up to logarithmic factors and does not have additional dependency on $\mathrm{poly}\left(H, S, A, d\right)$ in higher-order term. 2.For offline policy optimization, we obtain an $\tilde{O}\left(\sqrt{\frac{1}{Kd_m}} + \frac{\min(S, d)}{Kd_m}\right)$ sub-optimality gap for the empirical optimal policy, which approaches the lower bound up to logarithmic factors and a high-order term, improving upon the best known result by \cite{cui2020plug} that has additional $\mathrm{poly}\left(H, S, d\right)$ factors in the main term. To the best of our knowledge, these are the \emph{first} set of nearly horizon-free bounds for episodic time-homogeneous offline tabular MDP and linear MDP with anchor points. Central to our analysis is a simple yet effective recursion based method to bound a "total variance" term in the offline scenarios, which could be of individual interest.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Nearly Minimax Algorithms for Linear Bandits with Shared Representation

We give novel algorithms for multi-task and lifelong linear bandits with shared representation. Specifically, we consider the setting where we play $M$ linear bandits with dimension $d$, each for $T$ rounds, and these $M$ bandit tasks share a common $k(\ll d)$ dimensional linear representation. For both the multi-task setting where we play the tasks concurrently, and the lifelong setting where we play tasks sequentially, we come up with novel algorithms that achieve $\widetilde{O}\left(d\sqrt{kMT} + kM\sqrt{T}\right)$ regret bounds, which matches the known minimax regret lower bound up to logarithmic factors and closes the gap in existing results [Yang et al., 2021]. Our main technique include a more efficient estimator for the low-rank linear feature extractor and an accompanied novel analysis for this estimator.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

On Gap-dependent Bounds for Offline Reinforcement Learning

This paper presents a systematic study on gap-dependent sample complexity in offline reinforcement learning. Prior work showed when the density ratio between an optimal policy and the behavior policy is upper bounded (the optimal policy coverage assumption), then the agent can achieve an $O\left(\frac{1}{ε^2}\right)$ rate, which is also minimax optimal. We show under the optimal policy coverage assumption, the rate can be improved to $O\left(\frac{1}ε\right)$ when there is a positive sub-optimality gap in the optimal $Q$-function. Furthermore, we show when the visitation probabilities of the behavior policy are uniformly lower bounded for states where an optimal policy's visitation probabilities are positive (the uniform optimal policy coverage assumption), the sample complexity of identifying an optimal policy is independent of $\frac{1}ε$. Lastly, we present nearly-matching lower bounds to complement our gap-dependent upper bounds.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Optimal Extragradient-Based Bilinearly-Coupled Saddle-Point Optimization

We consider the smooth convex-concave bilinearly-coupled saddle-point problem, $\min_{\mathbf{x}}\max_{\mathbf{y}}~F(\mathbf{x}) + H(\mathbf{x},\mathbf{y}) - G(\mathbf{y})$, where one has access to stochastic first-order oracles for $F$, $G$ as well as the bilinear coupling function $H$. Building upon standard stochastic extragradient analysis for variational inequalities, we present a stochastic \emph{accelerated gradient-extragradient (AG-EG)} descent-ascent algorithm that combines extragradient and Nesterov's acceleration in general stochastic settings. This algorithm leverages scheduled restarting to admit a fine-grained nonasymptotic convergence rate that matches known lower bounds by both \citet{ibrahim2020linear} and \citet{zhang2021lower} in their corresponding settings, plus an additional statistical error term for bounded stochastic noise that is optimal up to a constant prefactor. This is the first result that achieves such a relatively mature characterization of optimality in saddle-point optimization.

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preprint2022arXiv

Provably Efficient Policy Optimization for Two-Player Zero-Sum Markov Games

Policy-based methods with function approximation are widely used for solving two-player zero-sum games with large state and/or action spaces. However, it remains elusive how to obtain optimization and statistical guarantees for such algorithms. We present a new policy optimization algorithm with function approximation and prove that under standard regularity conditions on the Markov game and the function approximation class, our algorithm finds a near-optimal policy within a polynomial number of samples and iterations. To our knowledge, this is the first provably efficient policy optimization algorithm with function approximation that solves two-player zero-sum Markov games.

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preprint2022arXiv

Reward-Free RL is No Harder Than Reward-Aware RL in Linear Markov Decision Processes

Reward-free reinforcement learning (RL) considers the setting where the agent does not have access to a reward function during exploration, but must propose a near-optimal policy for an arbitrary reward function revealed only after exploring. In the the tabular setting, it is well known that this is a more difficult problem than reward-aware (PAC) RL -- where the agent has access to the reward function during exploration -- with optimal sample complexities in the two settings differing by a factor of $|\mathcal{S}|$, the size of the state space. We show that this separation does not exist in the setting of linear MDPs. We first develop a computationally efficient algorithm for reward-free RL in a $d$-dimensional linear MDP with sample complexity scaling as $\widetilde{\mathcal{O}}(d^2 H^5/ε^2)$. We then show a lower bound with matching dimension-dependence of $Ω(d^2 H^2/ε^2)$, which holds for the reward-aware RL setting. To our knowledge, our approach is the first computationally efficient algorithm to achieve optimal $d$ dependence in linear MDPs, even in the single-reward PAC setting. Our algorithm relies on a novel procedure which efficiently traverses a linear MDP, collecting samples in any given ``feature direction'', and enjoys a sample complexity scaling optimally in the (linear MDP equivalent of the) maximal state visitation probability. We show that this exploration procedure can also be applied to solve the problem of obtaining ``well-conditioned'' covariates in linear MDPs.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

TransFollower: Long-Sequence Car-Following Trajectory Prediction through Transformer

Car-following refers to a control process in which the following vehicle (FV) tries to keep a safe distance between itself and the lead vehicle (LV) by adjusting its acceleration in response to the actions of the vehicle ahead. The corresponding car-following models, which describe how one vehicle follows another vehicle in the traffic flow, form the cornerstone for microscopic traffic simulation and intelligent vehicle development. One major motivation of car-following models is to replicate human drivers' longitudinal driving trajectories. To model the long-term dependency of future actions on historical driving situations, we developed a long-sequence car-following trajectory prediction model based on the attention-based Transformer model. The model follows a general format of encoder-decoder architecture. The encoder takes historical speed and spacing data as inputs and forms a mixed representation of historical driving context using multi-head self-attention. The decoder takes the future LV speed profile as input and outputs the predicted future FV speed profile in a generative way (instead of an auto-regressive way, avoiding compounding errors). Through cross-attention between encoder and decoder, the decoder learns to build a connection between historical driving and future LV speed, based on which a prediction of future FV speed can be obtained. We train and test our model with 112,597 real-world car-following events extracted from the Shanghai Naturalistic Driving Study (SH-NDS). Results show that the model outperforms the traditional intelligent driver model (IDM), a fully connected neural network model, and a long short-term memory (LSTM) based model in terms of long-sequence trajectory prediction accuracy. We also visualized the self-attention and cross-attention heatmaps to explain how the model derives its predictions.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

$Q$-learning with Logarithmic Regret

This paper presents the first non-asymptotic result showing that a model-free algorithm can achieve a logarithmic cumulative regret for episodic tabular reinforcement learning if there exists a strictly positive sub-optimality gap in the optimal $Q$-function. We prove that the optimistic $Q$-learning studied in [Jin et al. 2018] enjoys a ${\mathcal{O}}\left(\frac{SA\cdot \mathrm{poly}\left(H\right)}{Δ_{\min}}\log\left(SAT\right)\right)$ cumulative regret bound, where $S$ is the number of states, $A$ is the number of actions, $H$ is the planning horizon, $T$ is the total number of steps, and $Δ_{\min}$ is the minimum sub-optimality gap. This bound matches the information theoretical lower bound in terms of $S,A,T$ up to a $\log\left(SA\right)$ factor. We further extend our analysis to the discounted setting and obtain a similar logarithmic cumulative regret bound.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

A Provably Efficient Algorithm for Linear Markov Decision Process with Low Switching Cost

Many real-world applications, such as those in medical domains, recommendation systems, etc, can be formulated as large state space reinforcement learning problems with only a small budget of the number of policy changes, i.e., low switching cost. This paper focuses on the linear Markov Decision Process (MDP) recently studied in [Yang et al 2019, Jin et al 2020] where the linear function approximation is used for generalization on the large state space. We present the first algorithm for linear MDP with a low switching cost. Our algorithm achieves an $\widetilde{O}\left(\sqrt{d^3H^4K}\right)$ regret bound with a near-optimal $O\left(d H\log K\right)$ global switching cost where $d$ is the feature dimension, $H$ is the planning horizon and $K$ is the number of episodes the agent plays. Our regret bound matches the best existing polynomial algorithm by [Jin et al 2020] and our switching cost is exponentially smaller than theirs. When specialized to tabular MDP, our switching cost bound improves those in [Bai et al 2019, Zhang et al 20020]. We complement our positive result with an $Ω\left(dH/\log d\right)$ global switching cost lower bound for any no-regret algorithm.

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preprint2021arXiv

How Neural Networks Extrapolate: From Feedforward to Graph Neural Networks

We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while feedforward neural networks, a.k.a. multilayer perceptrons (MLPs), do not extrapolate well in certain simple tasks, Graph Neural Networks (GNNs) -- structured networks with MLP modules -- have shown some success in more complex tasks. Working towards a theoretical explanation, we identify conditions under which MLPs and GNNs extrapolate well. First, we quantify the observation that ReLU MLPs quickly converge to linear functions along any direction from the origin, which implies that ReLU MLPs do not extrapolate most nonlinear functions. But, they can provably learn a linear target function when the training distribution is sufficiently "diverse". Second, in connection to analyzing the successes and limitations of GNNs, these results suggest a hypothesis for which we provide theoretical and empirical evidence: the success of GNNs in extrapolating algorithmic tasks to new data (e.g., larger graphs or edge weights) relies on encoding task-specific non-linearities in the architecture or features. Our theoretical analysis builds on a connection of over-parameterized networks to the neural tangent kernel. Empirically, our theory holds across different training settings.

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preprint2021arXiv

Improved Corruption Robust Algorithms for Episodic Reinforcement Learning

We study episodic reinforcement learning under unknown adversarial corruptions in both the rewards and the transition probabilities of the underlying system. We propose new algorithms which, compared to the existing results in (Lykouris et al., 2020), achieve strictly better regret bounds in terms of total corruptions for the tabular setting. To be specific, firstly, our regret bounds depend on more precise numerical values of total rewards corruptions and transition corruptions, instead of only on the total number of corrupted episodes. Secondly, our regret bounds are the first of their kind in the reinforcement learning setting to have the number of corruptions show up additively with respect to $\min\{\sqrt{T}, \text{PolicyGapComplexity}\}$ rather than multiplicatively. Our results follow from a general algorithmic framework that combines corruption-robust policy elimination meta-algorithms, and plug-in reward-free exploration sub-algorithms. Replacing the meta-algorithm or sub-algorithm may extend the framework to address other corrupted settings with potentially more structure.

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preprint2020arXiv

Agnostic Q-learning with Function Approximation in Deterministic Systems: Tight Bounds on Approximation Error and Sample Complexity

The current paper studies the problem of agnostic $Q$-learning with function approximation in deterministic systems where the optimal $Q$-function is approximable by a function in the class $\mathcal{F}$ with approximation error $δ\ge 0$. We propose a novel recursion-based algorithm and show that if $δ= O\left(ρ/\sqrt{\dim_E}\right)$, then one can find the optimal policy using $O\left(\dim_E\right)$ trajectories, where $ρ$ is the gap between the optimal $Q$-value of the best actions and that of the second-best actions and $\dim_E$ is the Eluder dimension of $\mathcal{F}$. Our result has two implications: 1) In conjunction with the lower bound in [Du et al., ICLR 2020], our upper bound suggests that the condition $δ= \widetildeΘ\left(ρ/\sqrt{\mathrm{dim}_E}\right)$ is necessary and sufficient for algorithms with polynomial sample complexity. 2) In conjunction with the lower bound in [Wen and Van Roy, NIPS 2013], our upper bound suggests that the sample complexity $\widetildeΘ\left(\mathrm{dim}_E\right)$ is tight even in the agnostic setting. Therefore, we settle the open problem on agnostic $Q$-learning proposed in [Wen and Van Roy, NIPS 2013]. We further extend our algorithm to the stochastic reward setting and obtain similar results.

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preprint2020arXiv

DualSMC: Tunneling Differentiable Filtering and Planning under Continuous POMDPs

A major difficulty of solving continuous POMDPs is to infer the multi-modal distribution of the unobserved true states and to make the planning algorithm dependent on the perceived uncertainty. We cast POMDP filtering and planning problems as two closely related Sequential Monte Carlo (SMC) processes, one over the real states and the other over the future optimal trajectories, and combine the merits of these two parts in a new model named the DualSMC network. In particular, we first introduce an adversarial particle filter that leverages the adversarial relationship between its internal components. Based on the filtering results, we then propose a planning algorithm that extends the previous SMC planning approach [Piche et al., 2018] to continuous POMDPs with an uncertainty-dependent policy. Crucially, not only can DualSMC handle complex observations such as image input but also it remains highly interpretable. It is shown to be effective in three continuous POMDP domains: the floor positioning domain, the 3D light-dark navigation domain, and a modified Reacher domain.

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preprint2020arXiv

Is a Good Representation Sufficient for Sample Efficient Reinforcement Learning?

Modern deep learning methods provide effective means to learn good representations. However, is a good representation itself sufficient for sample efficient reinforcement learning? This question has largely been studied only with respect to (worst-case) approximation error, in the more classical approximate dynamic programming literature. With regards to the statistical viewpoint, this question is largely unexplored, and the extant body of literature mainly focuses on conditions which permit sample efficient reinforcement learning with little understanding of what are necessary conditions for efficient reinforcement learning. This work shows that, from the statistical viewpoint, the situation is far subtler than suggested by the more traditional approximation viewpoint, where the requirements on the representation that suffice for sample efficient RL are even more stringent. Our main results provide sharp thresholds for reinforcement learning methods, showing that there are hard limitations on what constitutes good function approximation (in terms of the dimensionality of the representation), where we focus on natural representational conditions relevant to value-based, model-based, and policy-based learning. These lower bounds highlight that having a good (value-based, model-based, or policy-based) representation in and of itself is insufficient for efficient reinforcement learning, unless the quality of this approximation passes certain hard thresholds. Furthermore, our lower bounds also imply exponential separations on the sample complexity between 1) value-based learning with perfect representation and value-based learning with a good-but-not-perfect representation, 2) value-based learning and policy-based learning, 3) policy-based learning and supervised learning and 4) reinforcement learning and imitation learning.

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preprint2020arXiv

Is Long Horizon Reinforcement Learning More Difficult Than Short Horizon Reinforcement Learning?

Learning to plan for long horizons is a central challenge in episodic reinforcement learning problems. A fundamental question is to understand how the difficulty of the problem scales as the horizon increases. Here the natural measure of sample complexity is a normalized one: we are interested in the number of episodes it takes to provably discover a policy whose value is $\varepsilon$ near to that of the optimal value, where the value is measured by the normalized cumulative reward in each episode. In a COLT 2018 open problem, Jiang and Agarwal conjectured that, for tabular, episodic reinforcement learning problems, there exists a sample complexity lower bound which exhibits a polynomial dependence on the horizon -- a conjecture which is consistent with all known sample complexity upper bounds. This work refutes this conjecture, proving that tabular, episodic reinforcement learning is possible with a sample complexity that scales only logarithmically with the planning horizon. In other words, when the values are appropriately normalized (to lie in the unit interval), this results shows that long horizon RL is no more difficult than short horizon RL, at least in a minimax sense. Our analysis introduces two ideas: (i) the construction of an $\varepsilon$-net for optimal policies whose log-covering number scales only logarithmically with the planning horizon, and (ii) the Online Trajectory Synthesis algorithm, which adaptively evaluates all policies in a given policy class using sample complexity that scales with the log-covering number of the given policy class. Both may be of independent interest.

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preprint2020arXiv

Near-Linear Time Local Polynomial Nonparametric Estimation with Box Kernels

Local polynomial regression (Fan and Gijbels 1996) is an important class of methods for nonparametric density estimation and regression problems. However, straightforward implementation of local polynomial regression has quadratic time complexity which hinders its applicability in large-scale data analysis. In this paper, we significantly accelerate the computation of local polynomial estimates by novel applications of multi-dimensional binary indexed trees (Fenwick 1994). Both time and space complexity of our proposed algorithm is nearly linear in the number of input data points. Simulation results confirm the efficiency and effectiveness of our proposed approach.

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preprint2020arXiv

On Reward-Free Reinforcement Learning with Linear Function Approximation

Reward-free reinforcement learning (RL) is a framework which is suitable for both the batch RL setting and the setting where there are many reward functions of interest. During the exploration phase, an agent collects samples without using a pre-specified reward function. After the exploration phase, a reward function is given, and the agent uses samples collected during the exploration phase to compute a near-optimal policy. Jin et al. [2020] showed that in the tabular setting, the agent only needs to collect polynomial number of samples (in terms of the number states, the number of actions, and the planning horizon) for reward-free RL. However, in practice, the number of states and actions can be large, and thus function approximation schemes are required for generalization. In this work, we give both positive and negative results for reward-free RL with linear function approximation. We give an algorithm for reward-free RL in the linear Markov decision process setting where both the transition and the reward admit linear representations. The sample complexity of our algorithm is polynomial in the feature dimension and the planning horizon, and is completely independent of the number of states and actions. We further give an exponential lower bound for reward-free RL in the setting where only the optimal $Q$-function admits a linear representation. Our results imply several interesting exponential separations on the sample complexity of reward-free RL.

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preprint2020arXiv

On Stationary-Point Hitting Time and Ergodicity of Stochastic Gradient Langevin Dynamics

Stochastic gradient Langevin dynamics (SGLD) is a fundamental algorithm in stochastic optimization. Recent work by Zhang et al. [2017] presents an analysis for the hitting time of SGLD for the first and second order stationary points. The proof in Zhang et al. [2017] is a two-stage procedure through bounding the Cheeger's constant, which is rather complicated and leads to loose bounds. In this paper, using intuitions from stochastic differential equations, we provide a direct analysis for the hitting times of SGLD to the first and second order stationary points. Our analysis is straightforward. It only relies on basic linear algebra and probability theory tools. Our direct analysis also leads to tighter bounds comparing to Zhang et al. [2017] and shows the explicit dependence of the hitting time on different factors, including dimensionality, smoothness, noise strength, and step size effects. Under suitable conditions, we show that the hitting time of SGLD to first-order stationary points can be dimension-independent. Moreover, we apply our analysis to study several important online estimation problems in machine learning, including linear regression, matrix factorization, and online PCA.

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preprint2020arXiv

Over-parameterized Adversarial Training: An Analysis Overcoming the Curse of Dimensionality

Adversarial training is a popular method to give neural nets robustness against adversarial perturbations. In practice adversarial training leads to low robust training loss. However, a rigorous explanation for why this happens under natural conditions is still missing. Recently a convergence theory for standard (non-adversarial) supervised training was developed by various groups for {\em very overparametrized} nets. It is unclear how to extend these results to adversarial training because of the min-max objective. Recently, a first step towards this direction was made by Gao et al. using tools from online learning, but they require the width of the net to be \emph{exponential} in input dimension $d$, and with an unnatural activation function. Our work proves convergence to low robust training loss for \emph{polynomial} width instead of exponential, under natural assumptions and with the ReLU activation. Key element of our proof is showing that ReLU networks near initialization can approximate the step function, which may be of independent interest.

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preprint2020arXiv

Provable Representation Learning for Imitation Learning via Bi-level Optimization

A common strategy in modern learning systems is to learn a representation that is useful for many tasks, a.k.a. representation learning. We study this strategy in the imitation learning setting for Markov decision processes (MDPs) where multiple experts' trajectories are available. We formulate representation learning as a bi-level optimization problem where the "outer" optimization tries to learn the joint representation and the "inner" optimization encodes the imitation learning setup and tries to learn task-specific parameters. We instantiate this framework for the imitation learning settings of behavior cloning and observation-alone. Theoretically, we show using our framework that representation learning can provide sample complexity benefits for imitation learning in both settings. We also provide proof-of-concept experiments to verify our theory.

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preprint2020arXiv

What Can Neural Networks Reason About?

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically, there is limited understanding of why and when a network structure generalizes better than others, although they have equal expressive power. In this paper, we develop a framework to characterize which reasoning tasks a network can learn well, by studying how well its computation structure aligns with the algorithmic structure of the relevant reasoning process. We formally define this algorithmic alignment and derive a sample complexity bound that decreases with better alignment. This framework offers an explanation for the empirical success of popular reasoning models, and suggests their limitations. As an example, we unify seemingly different reasoning tasks, such as intuitive physics, visual question answering, and shortest paths, via the lens of a powerful algorithmic paradigm, dynamic programming (DP). We show that GNNs align with DP and thus are expected to solve these tasks. On several reasoning tasks, our theory is supported by empirical results.

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