pwc-archive/papers-with-abstracts huggingface dataset:
Two-Stage Predict+Optimize for MILPs with Unknown Parameters in Constraints
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Consider the setting of constrained optimization, with some parameters unknown at solving time and requiring prediction from relevant features. Predict+Optimize is a recent framework for end-to-end training supervised learning models for such predictions, incorporating information about the optimization problem in the training process in order to yield better predictions in terms of the quality of the predicted solution under the true parameters. Almost all prior works have focused on the special case where the unknowns appear only in the optimization objective and not the constraints. Hu et al. proposed the first adaptation of Predict+Optimize to handle unknowns appearing in constraints, but the framework has somewhat ad-hoc elements, and they provided a training algorithm only for covering and packing linear programs. In this work, we give a new simpler and more powerful framework called Two-Stage Predict+Optimize, which we believe should be the canonical framework for the Predict+Optimize setting. We also give a training algorithm usable for all mixed integer linear programs, vastly generalizing the applicability of the framework. Experimental results demonstrate the superior prediction performance of our training framework over all classical and state-of-the-art methods.
Optimization and Bayes: A Trade-off for Overparameterized Neural Networks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

This paper proposes a novel algorithm, Transformative Bayesian Learning (TansBL), which bridges the gap between empirical risk minimization (ERM) and Bayesian learning for neural networks. We compare ERM, which uses gradient descent to optimize, and Bayesian learning with importance sampling for their generalization and computational complexity. We derive the first algorithm-dependent PAC-Bayesian generalization bound for infinitely wide networks based on an exact KL divergence between the trained posterior distribution obtained by infinitesimal step size gradient descent and a Gaussian prior. Moreover, we show how to transform gradient-based optimization into importance sampling by incorporating a weight. While Bayesian learning has better generalization, it suffers from low sampling efficiency. Optimization methods, on the other hand, have good sampling efficiency but poor generalization. Our proposed algorithm TansBL enables a trade-off between generalization and sampling efficiency.
Information Maximization Perspective of Orthogonal Matching Pursuit with Applications to Explainable AI
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Information Pursuit (IP) is a classical active testing algorithm for predicting an output by sequentially and greedily querying the input in order of information gain. However, IP is computationally intensive since it involves estimating mutual information in high-dimensional spaces. This paper explores Orthogonal Matching Pursuit (OMP) as an alternative to IP for greedily selecting the queries. OMP is a classical signal processing algorithm for sequentially encoding a signal in terms of dictionary atoms chosen in order of correlation gain. In each iteration, OMP selects the atom that is most correlated with the signal residual (the signal minus its reconstruction thus far). Our first contribution is to establish a fundamental connection between IP and OMP, where we prove that IP with random projections of dictionary atoms as queries ``almost'' reduces to OMP, with the difference being that IP selects atoms in order of normalized correlation gain. We call this version IP-OMP and present simulations indicating that this difference does not have any appreciable effect on the sparse code recovery rate of IP-OMP compared to that of OMP for random Gaussian dictionaries. Inspired by this connection, our second contribution is to explore the utility of IP-OMP for generating explainable predictions, an area in which IP has recently gained traction. More specifically, we propose a simple explainable AI algorithm which encodes an image as a sparse combination of semantically meaningful dictionary atoms that are defined as text embeddings of interpretable concepts. The final prediction is made using the weights of this sparse combination, which serve as an explanation. Empirically, our proposed algorithm is not only competitive with existing explainability methods but also computationally less expensive.Submission Number: 15576
Undirected Probabilistic Model for Tensor Decomposition
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Tensor decompositions (TDs) serve as a powerful tool for analyzing multiway data. Traditional TDs incorporate prior knowledge about the data into the model, such as a directed generative process from latent factors to observations. In practice, selecting proper structural or distributional assumptions beforehand is crucial for obtaining a promising TD representation. However, since such prior knowledge is typically unavailable in real-world applications, choosing an appropriate TD model can be challenging. This paper aims to address this issue by introducing a flexible TD framework that discards the structural and distributional assumptions, in order to learn as much information from the data. Specifically, we construct a TD model that captures the joint probability of the data and latent tensor factors through a deep energy-based model (EBM). Neural networks are then employed to parameterize the joint energy function of tensor factors and tensor entries. The flexibility of EBM and neural networks enables the learning of underlying structures and distributions. In addition, by designing the energy function, our model unifies the learning process of different types of tensors, such as static tensors and dynamic tensors with time stamps. The resulting model presents a doubly intractable nature due to the presence of latent tensor factors and the unnormalized probability function. To efficiently train the model, we derive a variational upper bound of the conditional noise-contrastive estimation objective that learns the unnormalized joint probability by distinguishing data from conditional noises. We show advantages of our model on both synthetic and several real-world datasets.
Effective Bayesian Heteroscedastic Regression with Deep Neural Networks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Flexibly quantifying both irreducible aleatoric and model-dependent epistemic uncertainties plays an important role for complex regression problems. While deep neural networks in principle can provide this flexibility and learn heteroscedastic aleatoric uncertainties through non-linear functions, recent works highlight that maximizing the log likelihood objective parameterized by mean and variance can lead to compromised mean fits since the gradient are scaled by the predictive variance, and propose adjustments in line with this premise. 
We instead propose to use the natural parametrization of the Gaussian, which has been shown to be more stable for heteroscedastic regression based on non-linear feature maps and Gaussian processes. Further, we emphasize the significance of principled regularization of the network parameters and prediction. We therefore propose an efficient Laplace approximation for heteroscedastic neural networks that allows automatic regularization through empirical Bayes and provides epistemic uncertainties, both of which improve generalization.
We showcase on a range of regression problems—including a new heteroscedastic image regression benchmark—that our methods are scalable, improve over previous approaches for heteroscedastic regression, and provide epistemic uncertainty without requiring hyperparameter tuning.Submission Number: 12444
On Convergence of Polynomial Approximations to the Gaussian Mixture Entropy
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Gaussian mixture models (GMMs) are fundamental to machine learning due to their flexibility as approximating densities. However, uncertainty quantification of GMMs remains a challenge as differential entropy lacks a closed form.  This paper explores polynomial approximations, specifically Taylor and Legendre, to the GMM entropy from a theoretical and practical perspective. We provide new analysis of a widely used approach due to Huber et al.(2008) and show that the series diverges under simple conditions.  Motivated by this divergence we provide a novel Taylor series that is provably convergent to the true entropy of any GMM.  We demonstrate a method for selecting a center such that the series converges from below, providing a lower bound on GMM entropy. Furthermore, we demonstrate that orthogonal polynomial series result in more accurate polynomial approximations. Experimental validation supports our theoretical results while showing that our method is comparable in computation to Huber et al. We also show that in application, the use of these polynomial approximations, such as in Nonparametric Variational Inference by Gershamn et al. (2012), rely on the convergence of the methods in computing accurate approximations. This work contributes useful analysis to existing methods while introducing a novel approximation supported by firm theoretical guarantees.
Survival Permanental Processes for Survival Analysis with Time-Varying Covariates
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Survival or time-to-event data with time-varying covariates are common in practice, and exploring the non-stationarity in covariates is essential to accurately analyzing the nonlinear dependence of time-to-event outcomes on covariates. Traditional survival analysis methods such as Cox proportional hazards model have been extended to address the time-varying covariates through a counting process formulation, although sophisticated machine learning methods that can accommodate time-varying covariates have been limited. In this paper, we propose a non-parametric Bayesian survival model to analyze the nonlinear dependence of time-to-event outcomes on time-varying covariates. We focus on a computationally feasible Cox process called permanental process, which assumes the square root of hazard function to be generated from a Gaussian process, and tailor it for survival data with time-varying covariates. We verify that the proposed model holds with the representer theorem, a beneficial property for functional analysis, which offers us a fast Bayesian estimation algorithm that scales linearly with the number of observed events without relying on Markov Chain Monte Carlo computation. We evaluate our algorithm on synthetic and real-world data, and show that it achieves comparable predictive accuracy while being tens to hundreds of times faster than state-of-the-art methods.
Sampling from Structured Log-Concave Distributions via a Soft-Threshold Dikin Walk
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Given a Lipschitz or smooth convex function $f:K \to \mathbb{R}^d$ for a bounded polytope $K:=${ $\theta \in \mathbb{R}^d: A\theta \leq b$}, where $A\in  \mathbb{R}^{m\times d}$ and $b \in \mathbb{R}^m$, we consider the problem of sampling from the log-concave distribution $\pi(\theta) \propto e^{-f(\theta)}$ constrained to $K$. Interest in this problem derives from its applications to  Bayesian inference and differential privacy. We present  a generalization of the Dikin walk  to this setting that requires at most $O((md + d L^2 R^2) \times md^{\omega-1} \log(\frac{w}{\delta}))$ arithmetic operations to sample from $\pi$ within error $\delta>0$ in the total variation distance from a $w$-warm start. Here $L$ is the Lipschitz constant of $f$, $K$ is contained in a ball of radius $R$ and contains a ball of smaller radius $r$, and $\omega \approx 2.37$ is the matrix-multiplication constant. This improves on the running time of prior works for a range of structured settings important for the aforementioned inference and privacy applications. Technically, we depart from previous Dikin walks by adding a soft-threshold regularizer derived from the Lipschitz or smoothness properties of $f$  to a barrier function for $K$ that allows our version of the Dikin walk to propose updates  that have a high Metropolis acceptance ratio for $f$, while at the same time remaining inside the polytope $K$.Submission Number: 7471
Fast Scalable and Accurate Discovery of DAGs Using the Best Order Score Search and Grow Shrink Trees
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Learning graphical conditional independence structures is an important machine learning problem and a cornerstone of causal discovery. However, the accuracy and execution time of learning algorithms generally struggle to scale to problems with hundreds of highly connected variables---for instance, recovering brain networks from fMRI data. We introduce the best order score search (BOSS) and grow-shrink trees (GSTs) for learning directed acyclic graphs (DAGs) in this paradigm. BOSS greedily searches over permutations of variables, using GSTs to construct and score DAGs from permutations. GSTs efficiently cache scores to eliminate redundant calculations. BOSS achieves state-of-the-art performance in accuracy and execution time, comparing favorably to a variety of combinatorial and gradient-based learning algorithms under a broad range of conditions. To demonstrate its practicality, we apply BOSS to two sets of resting-state fMRI data: simulated data with pseudo-empirical noise distributions derived from randomized empirical fMRI cortical signals and clinical data from 3T fMRI scans processed into cortical parcels. BOSS is available for use within the TETRAD project which includes Python and R wrappers.
Efficient Potential-based Exploration in Reinforcement Learning using Inverse Dynamic Bisimulation Metric
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Reward shaping is an effective technique for integrating domain knowledge into reinforcement learning (RL). However, traditional approaches like potential-based reward shaping totally rely on manually designing shaping reward functions, which significantly restricts exploration efficiency and introduces human cognitive biases.
While a number of RL methods have been proposed to boost exploration by designing an intrinsic reward signal as exploration bonus. Nevertheless, these methods heavily rely on the count-based episodic term in their exploration bonus which falls short in scalability. To address these limitations, we propose a general end-to-end potential-based exploration bonus for deep RL via potentials of state discrepancy, which motivates the agent to discover novel states and provides them with denser rewards without manual intervention. Specifically, we measure the novelty of adjacent states by calculating their distance using the bisimulation metric-based potential function, which enhances agent's exploration and ensures policy invariance. In addition, we offer a theoretical guarantee on our inverse dynamic bisimulation metric, bounding the value difference and ensuring that the agent explores states with higher TD error, thus significantly improving training efficiency. The proposed approach is named \textbf{LIBERTY} (exp\textbf{L}oration v\textbf{I}a \textbf{B}isimulation m\textbf{E}t\textbf{R}ic-based s\textbf{T}ate discrepanc\textbf{Y}) which is comprehensively evaluated on the MuJoCo and the Arcade Learning Environments. Extensive experiments have verified the superiority and scalability of our algorithm compared with other competitive methods.
Multi-Modal Inverse Constrained Reinforcement Learning from a Mixture of Demonstrations
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Inverse Constraint Reinforcement Learning (ICRL) aims to recover the underlying constraints respected by expert agents in a data-driven manner. Existing ICRL algorithms typically assume that the demonstration data is generated by a single type of expert. However, in practice, demonstrations often comprise a mixture of trajectories collected from various expert agents respecting different constraints, making it challenging to explain expert behaviors with a unified constraint function. To tackle this issue, we propose a Multi-Modal Inverse Constrained Reinforcement Learning (MMICRL) algorithm for simultaneously estimating multiple constraints corresponding to different types of experts. MMICRL constructs a flow-based density estimator that enables unsupervised expert identification from demonstrations, so as to infer the agent-specific constraints. Following these constraints, MMICRL imitates expert policies with a novel multi-modal constrained policy optimization objective that minimizes the agent-conditioned policy entropy and maximizes the unconditioned one. To enhance robustness, we incorporate this objective into the contrastive learning framework. This approach enables imitation policies to capture the diversity of behaviors among expert agents. Extensive experiments in both discrete and continuous environments show that MMICRL outperforms other baselines in terms of constraint recovery and control performance.
General Munchausen Reinforcement Learning with Tsallis Kullback-Leibler Divergence
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Many policy optimization approaches in reinforcement learning incorporate a Kullback-Leilbler (KL) divergence to the previous policy, to prevent the policy from changing too quickly. This idea was initially proposed in a seminal paper on Conservative Policy Iteration, with approximations given by algorithms like TRPO and Munchausen Value Iteration (MVI). We continue this line of work by investigating a generalized KL divergence---called the Tsallis KL divergence. Tsallis KL defined by the $q$-logarithm is a strict generalization, as $q = 1$ corresponds to the standard KL divergence; $q > 1$ provides a range of new options. We characterize the types of policies learned under the Tsallis KL, and motivate when $q >1$ could be beneficial.  To obtain a practical algorithm that incorporates Tsallis KL regularization, we extend MVI, which is one of the simplest approaches to incorporate KL regularization. We show that this generalized MVI($q$) obtains significant improvements over the standard MVI($q = 1$) across 35 Atari games.
Imitation Learning from Vague Feedback
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Imitation learning from human feedback studies how to train well-performed imitation agents with an annotator's relative comparison of two demonstrations (one demonstration is better/worse than the other), which is usually easier to collect than the perfect expert data required by traditional imitation learning. However, in many real-world applications, it is still expensive or even impossible to provide a clear pairwise comparison between two demonstrations with similar quality. This motivates us to study the problem of imitation learning with vague feedback, where the data annotator can only distinguish the paired demonstrations correctly when their quality differs significantly, i.e., one from the expert and another from the non-expert. By modeling the underlying demonstration pool as a mixture of expert and non-expert data, we show that the expert policy distribution can be recovered when the proportion $\alpha$ of expert data is known. We also propose a mixture proportion estimation method for the unknown $\alpha$ case. Then, we integrate the recovered expert policy distribution with generative adversarial imitation learning to form an end-to-end algorithm. Experiments show that our methods outperform standard and preference-based imitation learning methods on various tasks.Submission Number: 7723
An Efficient End-to-End Training Approach for Zero-Shot Human-AI Coordination
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

The goal of zero-shot human-AI coordination is to develop an agent that can collaborate with humans without relying on human data. Prevailing two-stage population-based methods require a diverse population of mutually distinct policies to simulate diverse human behaviors. The necessity of such populations severely limits their computational efficiency. To address this issue, we propose E3T, an **E**fficient **E**nd-to-**E**nd **T**raining approach for zero-shot human-AI coordination. E3T employs a mixture of ego policy and random policy to construct the partner policy, making it both coordination-skilled and diverse. In this way, the ego agent is end-to-end trained with this mixture policy without the need of a pre-trained population, thus significantly improving the training efficiency.  In addition, a partner modeling module is proposed to predict the partner's action from historical information. With the predicted partner's action, the ego policy is able to adapt its policy and take actions accordingly when collaborating with humans of different behavior patterns. Empirical results on the Overcooked environment show that our method significantly improves the training efficiency while preserving comparable or superior performance than the population-based baselines. Demo videos are available at https://sites.google.com/view/e3t-overcooked.Submission Number: 5934
Effectively Learning Initiation Sets in Hierarchical Reinforcement Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

An agent learning an option in hierarchical reinforcement learning must solve three problems: identify the option's subgoal (termination condition), learn a policy, and learn where that policy will succeed (initiation set). The termination condition is typically identified first, but the option policy and initiation set must be learned simultaneously, which is challenging because the initiation set depends on the option policy, which changes as the agent learns. Consequently, data obtained from option execution becomes invalid over time, leading to an inaccurate initiation set that subsequently harms downstream task performance. We highlight three issues---data non-stationarity, temporal credit assignment, and pessimism---specific to learning initiation sets, and propose to address them using tools from off-policy value estimation and classification. We show that our method learns higher-quality initiation sets faster than existing methods (in MiniGrid and Montezuma's Revenge), can automatically discover promising grasps for robot manipulation (in Robosuite), and improves the performance of a state-of-the-art option discovery method in a challenging maze navigation task in MuJoCo.
Recovering from Out-of-sample States via Inverse Dynamics in Offline Reinforcement Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In this paper we deal with the state distributional shift problem commonly encountered in offline reinforcement learning during test, where the agent tends to take unreliable actions at out-of-sample (unseen) states. Our idea is to encourage the agent to follow the so called state recovery principle when taking actions, i.e., besides long-term return, the immediate consequences of the current action should also be taken into account and those capable of recovering the state distribution of the behavior policy are preferred. For this purpose, an inverse dynamics model is learned and employed to guide the state recovery behavior of the new policy. Theoretically, we show that the proposed method helps aligning the transited state distribution of the new policy with the offline dataset at out-of-sample states, without the need of  explicitly predicting the transited state distribution, which is usually difficult in high-dimensional and complicated environments. The effectiveness and feasibility of the proposed method is demonstrated with the state-of-the-art performance on the general offline RL benchmarks.