mtybilly/Instruct2DS huggingface dataset:
Cooperation in the Latent Space: The Benefits of Adding Mixture Components in Variational Autoencoders
Authors: Kviman, Oskar and Molén, Ricky and Hotti, Alexandra and Kurt, Semih and Elvira, Víctor and Lagergren, Jens
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In this paper, we show how the mixture components cooperate when they jointly adapt to maximize the ELBO. We build upon recent advances in the multiple and adaptive importance sampling literature. We then model the mixture components using separate encoder networks and show empirically that the ELBO is monotonically non-decreasing as a function of the number of mixture components. These results hold for a range of different VAE architectures on the MNIST, FashionMNIST, and CIFAR-10 datasets. In this work, we also demonstrate that increasing the number of mixture components improves the latent-representation capabilities of the VAE on both image and single-cell datasets. This cooperative behavior motivates that using Mixture VAEs should be considered a standard approach for obtaining more flexible variational approximations. Finally, Mixture VAEs are here, for the first time, compared and combined with normalizing flows, hierarchical models and/or the VampPrior in an extensive ablation study. Multiple of our Mixture VAEs achieve state-of-the-art log-likelihood results for VAE architectures on the MNIST and FashionMNIST datasets. The experiments are reproducible using our code, provided https://github.com/Lagergren-Lab/MixtureVAEs.
GeCoNeRF: Few-shot Neural Radiance Fields via Geometric Consistency
Authors: Kwak, Min-Seop and Song, Jiuhn and Kim, Seungryong
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We present a novel framework to regularize Neural Radiance Field (NeRF) in a few-shot setting with a geometry-aware consistency regularization. The proposed approach leverages a rendered depth map at unobserved viewpoint to warp sparse input images to the unobserved viewpoint and impose them as pseudo ground truths to facilitate learning of NeRF. By encouraging such geometry-aware consistency at a feature-level instead of using pixel-level reconstruction loss, we regularize the NeRF at semantic and structural levels while allowing for modeling view dependent radiance to account for color variations across viewpoints. We also propose an effective method to filter out erroneous warped solutions, along with training strategies to stabilize training during optimization. We show that our model achieves competitive results compared to state-of-the-art few-shot NeRF models.
Rotation and Translation Invariant Representation Learning with Implicit Neural Representations
Authors: Kwon, Sehyun and Choi, Joo Young and Ryu, Ernest K.
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In many computer vision applications, images are acquired with arbitrary or random rotations and translations, and in such setups, it is desirable to obtain semantic representations disentangled from the image orientation. Examples of such applications include semiconductor wafer defect inspection, plankton microscope images, and inference on single-particle cryo-electron microscopy (cryo-EM) micro-graphs. In this work, we propose Invariant Representation Learning with Implicit Neural Representation (IRL-INR), which uses an implicit neural representation (INR) with a hypernetwork to obtain semantic representations disentangled from the orientation of the image. We show that IRL-INR can effectively learn disentangled semantic representations on more complex images compared to those considered in prior works and show that these semantic representations synergize well with SCAN to produce state-of-the-art unsupervised clustering results.
Reward-Mixing MDPs with Few Latent Contexts are Learnable
Authors: Kwon, Jeongyeol and Efroni, Yonathan and Caramanis, Constantine and Mannor, Shie
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider episodic reinforcement learning in reward-mixing Markov decision processes (RMMDPs): at the beginning of every episode nature randomly picks a latent reward model among $M$ candidates and an agent interacts with the MDP throughout the episode for $H$ time steps. Our goal is to learn a near-optimal policy that nearly maximizes the $H$ time-step cumulative rewards in such a model. Prior work established an upper bound for RMMDPs with $M=2$. In this work, we resolve several open questions for the general RMMDP setting. We consider an arbitrary $M\ge2$ and provide a sample-efficient algorithm–$EM^2$–that outputs an $ε$-optimal policy using $O łeft(ε^-2 · S^d A^d · \textpoly(H, Z)^d i̊ght)$ episodes, where $S, A$ are the number of states and actions respectively, $H$ is the time-horizon, $Z$ is the support size of reward distributions and $d=O(\min(M,H))$. We also provide a $(SA)^Ømega(\sqrtM) / ε^2$ lower bound, supporting that super-polynomial sample complexity in $M$ is necessary.
A Fully First-Order Method for Stochastic Bilevel Optimization
Authors: Kwon, Jeongyeol and Kwon, Dohyun and Wright, Stephen and Nowak, Robert D
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider stochastic unconstrained bilevel optimization problems when only the first-order gradient oracles are available. While numerous optimization methods have been proposed for tackling bilevel problems, existing methods either tend to require possibly expensive calculations regarding Hessians of lower-level objectives, or lack rigorous finite-time performance guarantees. In this work, we propose a Fully First-order Stochastic Approximation (F2SA) method, and study its non-asymptotic convergence properties. Specifically, we show that F2SA converges to an $ε$-stationary solution of the bilevel problem after $ε^-7/2, ε^-5/2$, and $ε^-3/2$ iterations (each iteration using $O(1)$ samples) when stochastic noises are in both level objectives, only in the upper-level objective, and not present (deterministic settings), respectively. We further show that if we employ momentum-assisted gradient estimators, the iteration complexities can be improved to $ε^-5/2, ε^-4/2$, and $ε^-3/2$, respectively. We demonstrate even superior practical performance of the proposed method over existing second-order based approaches on MNIST data-hypercleaning experiments.
Complexity of Block Coordinate Descent with Proximal Regularization and Applications to Wasserstein CP-dictionary Learning
Authors: Kwon, Dohyun and Lyu, Hanbaek
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider the block coordinate descent methods of Gauss-Seidel type with proximal regularization (BCD-PR), which is a classical method of minimizing general nonconvex objectives under constraints that has a wide range of practical applications. We theoretically establish the worst-case complexity bound for this algorithm. Namely, we show that for general nonconvex smooth objectives with block-wise constraints, the classical BCD-PR algorithm converges to an epsilon-stationary point within O(1/epsilon) iterations. Under a mild condition, this result still holds even if the algorithm is executed inexactly in each step. As an application, we propose a provable and efficient algorithm for ‘Wasserstein CP-dictionary learning’, which seeks a set of elementary probability distributions that can well-approximate a given set of d-dimensional joint probability distributions. Our algorithm is a version of BCD-PR that operates in the dual space, where the primal problem is regularized both entropically and proximally.
Data-OOB: Out-of-bag Estimate as a Simple and Efficient Data Value
Authors: Kwon, Yongchan and Zou, James
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Data valuation is a powerful framework for providing statistical insights into which data are beneficial or detrimental to model training. Many Shapley-based data valuation methods have shown promising results in various downstream tasks, however, they are well known to be computationally challenging as it requires training a large number of models. As a result, it has been recognized as infeasible to apply to large datasets. To address this issue, we propose Data-OOB, a new data valuation method for a bagging model that utilizes the out-of-bag estimate. The proposed method is computationally efficient and can scale to millions of data by reusing trained weak learners. Specifically, Data-OOB takes less than $2.25$ hours on a single CPU processor when there are $10^6$ samples to evaluate and the input dimension is $100$. Furthermore, Data-OOB has solid theoretical interpretations in that it identifies the same important data point as the infinitesimal jackknife influence function when two different points are compared. We conduct comprehensive experiments using 12 classification datasets, each with thousands of sample sizes. We demonstrate that the proposed method significantly outperforms existing state-of-the-art data valuation methods in identifying mislabeled data and finding a set of helpful (or harmful) data points, highlighting the potential for applying data values in real-world applications.
Emergence of Adaptive Circadian Rhythms in Deep Reinforcement Learning
Authors: Labash, Aqeel and Stelzer, Florian and Majoral, Daniel and Vicente Zafra, Raul
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Adapting to regularities of the environment is critical for biological organisms to anticipate events and plan. A prominent example is the circadian rhythm corresponding to the internalization by organisms of the $24$-hour period of the Earth’s rotation. In this work, we study the emergence of circadian-like rhythms in deep reinforcement learning agents. In particular, we deployed agents in an environment with a reliable periodic variation while solving a foraging task. We systematically characterize the agent’s behavior during learning and demonstrate the emergence of a rhythm that is endogenous and entrainable. Interestingly, the internal rhythm adapts to shifts in the phase of the environmental signal without any re-training. Furthermore, we show via bifurcation and phase response curve analyses how artificial neurons develop dynamics to support the internalization of the environmental rhythm. From a dynamical systems view, we demonstrate that the adaptation proceeds by the emergence of a stable periodic orbit in the neuron dynamics with a phase response that allows an optimal phase synchronisation between the agent’s dynamics and the environmental rhythm.
Synergies between Disentanglement and Sparsity: Generalization and Identifiability in Multi-Task Learning
Authors: Lachapelle, Sebastien and Deleu, Tristan and Mahajan, Divyat and Mitliagkas, Ioannis and Bengio, Yoshua and Lacoste-Julien, Simon and Bertrand, Quentin
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse task-specific predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations.
Nearly-Optimal Hierarchical Clustering for Well-Clustered Graphs
Authors: Laenen, Steinar and Manghiuc, Bogdan Adrian and Sun, He
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This paper presents two efficient hierarchical clustering (HC) algorithms with respect to Dasgupta’s cost function. For any input graph $G$ with a clear cluster-structure, our designed algorithms run in nearly-linear time in the input size of $G$, and return an $O(1)$-approximate HC tree with respect to Dasgupta’s cost function. We compare the performance of our algorithm against the previous state-of-the-art on synthetic and real-world datasets and show that our designed algorithm produces comparable or better HC trees with much lower running time.
Hybrid Energy Based Model in the Feature Space for Out-of-Distribution Detection
Authors: Lafon, Marc and Ramzi, Elias and Rambour, Clément and Thome, Nicolas
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Out-of-distribution (OOD) detection is a critical requirement for the deployment of deep neural networks. This paper introduces the HEAT model, a new post-hoc OOD detection method estimating the density of in-distribution (ID) samples using hybrid energy-based models (EBM) in the feature space of a pre-trained backbone. HEAT complements prior density estimators of the ID density, e.g. parametric models like the Gaussian Mixture Model (GMM), to provide an accurate yet robust density estimation. A second contribution is to leverage the EBM framework to provide a unified density estimation and to compose several energy terms. Extensive experiments demonstrate the significance of the two contributions. HEAT sets new state-of-the-art OOD detection results on the CIFAR-10 / CIFAR-100 benchmark as well as on the large-scale Imagenet benchmark. The code is available at: https://github.com/MarcLafon/heatood.
A theory of continuous generative flow networks
Authors: Lahlou, Salem and Deleu, Tristan and Lemos, Pablo and Zhang, Dinghuai and Volokhova, Alexandra and Hernández-García, Alex and Ezzine, Lena Nehale and Bengio, Yoshua and Malkin, Nikolay
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that they are restricted to discrete spaces. We present a theory for generalized GFlowNets, which encompasses both existing discrete GFlowNets and ones with continuous or hybrid state spaces, and perform experiments with two goals in mind. First, we illustrate critical points of the theory and the importance of various assumptions. Second, we empirically demonstrate how observations about discrete GFlowNets transfer to the continuous case and show strong results compared to non-GFlowNet baselines on several previously studied tasks. This work greatly widens the perspectives for the application of GFlowNets in probabilistic inference and various modeling settings.
Automatically marginalized MCMC in probabilistic programming
Authors: Lai, Jinlin and Burroni, Javier and Guan, Hui and Sheldon, Daniel
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, and often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.
DS-1000: A Natural and Reliable Benchmark for Data Science Code Generation
Authors: Lai, Yuhang and Li, Chengxi and Wang, Yiming and Zhang, Tianyi and Zhong, Ruiqi and Zettlemoyer, Luke and Yih, Wen-Tau and Fried, Daniel and Wang, Sida and Yu, Tao
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We introduce DS-1000, a code generation benchmark with a thousand data science problems spanning seven Python libraries, such as Numpy and Pandas. Compared to prior works, DS-1000 incorporates three core features. First, our problems reflect diverse, realistic, and practical use cases since we collected them from StackOverflow. Second, our automatic evaluation is highly specific (reliable) – across all Codex-002-predicted solutions that our evaluation accepts, only 1.8% of them are incorrect; we achieve this with multi-criteria metrics, checking both functional correctness by running test cases and surface-form constraints by restricting API usages or keywords. Finally, we proactively defend against memorization by slightly modifying our problems to be different from the original StackOverflow source; consequently, models cannot answer them correctly by memorizing the solutions from pre-training. The current best public system (Codex-002) achieves 43.3% accuracy, leaving ample room for improvement. We release our benchmark at https://ds1000-code-gen.github.io.
ChiPFormer: Transferable Chip Placement via Offline Decision Transformer
Authors: Lai, Yao and Liu, Jinxin and Tang, Zhentao and Wang, Bin and Hao, Jianye and Luo, Ping
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Placement is a critical step in modern chip design, aiming to determine the positions of circuit modules on the chip canvas. Recent works have shown that reinforcement learning (RL) can improve human performance in chip placement. However, such an RL-based approach suffers from long training time and low transfer ability in unseen chip circuits. To resolve these challenges, we cast the chip placement as an offline RL formulation and present ChiPFormer that enables learning a transferable placement policy from fixed offline data. ChiPFormer has several advantages that prior arts do not have. First, ChiPFormer can exploit offline placement designs to learn transferable policies more efficiently in a multi-task setting. Second, ChiPFormer can promote effective finetuning for unseen chip circuits, reducing the placement runtime from hours to minutes. Third, extensive experiments on 32 chip circuits demonstrate that ChiPFormer achieves significantly better placement quality while reducing the runtime by 10x compared to recent state-of-the-art approaches in both public benchmarks and realistic industrial tasks. The deliverables are released at https://sites.google.com/view/chipformer/home.
FP-Diffusion: Improving Score-based Diffusion Models by Enforcing the Underlying Score Fokker-Planck Equation
Authors: Lai, Chieh-Hsin and Takida, Yuhta and Murata, Naoki and Uesaka, Toshimitsu and Mitsufuji, Yuki and Ermon, Stefano
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Score-based generative models (SGMs) learn a family of noise-conditional score functions corresponding to the data density perturbed with increasingly large amounts of noise. These perturbed data densities are linked together by the Fokker-Planck equation (FPE), a partial differential equation (PDE) governing the spatial-temporal evolution of a density undergoing a diffusion process. In this work, we derive a corresponding equation called the score FPE that characterizes the noise-conditional scores of the perturbed data densities (i.e., their gradients). Surprisingly, despite the impressive empirical performance, we observe that scores learned through denoising score matching (DSM) fail to fulfill the underlying score FPE, which is an inherent self-consistency property of the ground truth score. We prove that satisfying the score FPE is desirable as it improves the likelihood and the degree of conservativity. Hence, we propose to regularize the DSM objective to enforce satisfaction of the score FPE, and we show the effectiveness of this approach across various datasets.
Private Statistical Estimation of Many Quantiles
Authors: Lalanne, Clément and Garivier, Aurélien and Gribonval, Rémi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This work studies the estimation of many statistical quantiles under differential privacy. More precisely, given a distribution and access to i.i.d. samples from it, we study the estimation of the inverse of its cumulative distribution function (the quantile function) at specific points. For instance, this task is of key importance in private data generation. We present two different approaches. The first one consists in privately estimating the empirical quantiles of the samples and using this result as an estimator of the quantiles of the distribution. In particular, we study the statistical properties of the recently published algorithm introduced by (Kaplan et al., 2022) that privately estimates the quantiles recursively. The second approach is to use techniques of density estimation in order to uniformly estimate the quantile function on an interval. In particular, we show that there is a tradeoff between the two methods. When we want to estimate many quantiles, it is better to estimate the density rather than estimating the quantile function at specific points.
Bootstrap in High Dimension with Low Computation
Authors: Lam, Henry and Liu, Zhenyuan
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The bootstrap is a popular data-driven method to quantify statistical uncertainty, but for modern high-dimensional problems, it could suffer from huge computational costs due to the need to repeatedly generate resamples and refit models. We study the use of bootstraps in high-dimensional environments with a small number of resamples. In particular, we show that with a recent "cheap" bootstrap perspective, using a number of resamples as small as one could attain valid coverage even when the dimension grows closely with the sample size, thus strongly supporting the implementability of the bootstrap for large-scale problems. We validate our theoretical results and compare the performance of our approach with other benchmarks via a range of experiments.
LegendreTron: Uprising Proper Multiclass Loss Learning
Authors: Lam, Kevin H and Walder, Christian and Penev, Spiridon and Nock, Richard
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Loss functions serve as the foundation of supervised learning and are often chosen prior to model development. To avoid potentially ad hoc choices of losses, statistical decision theory describes a desirable property for losses known as <em>properness</em>, which asserts that Bayes’ rule is optimal. Recent works have sought to <em>learn losses</em> and models jointly. Existing methods do this by fitting an inverse canonical link function which monotonically maps $ℝ$ to $[0,1]$ to estimate probabilities for binary problems. In this paper, we extend monotonicity to maps between $ℝ^C-1$ and the projected probability simplex $\tildeΔ^C-1$ by using monotonicity of gradients of convex functions. We present LegendreTron as a novel and practical method that jointly learns <em>proper canonical losses</em> and probabilities for multiclass problems. Tested on a benchmark of domains with up to 1,000 classes, our experimental results show that our method consistently outperforms the natural multiclass baseline under a $t$-test at 99% significance on all datasets with greater than $10$ classes.
Metagenomic Binning using Connectivity-constrained Variational Autoencoders
Authors: Lamurias, Andre and Tibo, Alessandro and Hose, Katja and Albertsen, Mads and Nielsen, Thomas Dyhre
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Current state-of-the-art techniques for metagenomic binning only utilize local features for the individual DNA sequences (contigs), neglecting additional information such as the assembly graph, in which the contigs are connected according to overlapping reads, and gene markers identified in the contigs. In this paper, we propose the use of a Variational AutoEncoder (VAE) tailored to leverage auxiliary structural information about contig relations when learning contig representations for subsequent metagenomic binning. Our method, CCVAE, improves on previous work that used VAEs for learning latent representations of the individual contigs, by constraining these representations according to the connectivity information from the assembly graph. Additionally, we incorporate into the model additional information in the form of marker genes to better differentiate contigs from different genomes. Our experiments on both simulated and real-world datasets demonstrate that CCVAE outperforms current state-of-the-art techniques, thus providing a more effective method for metagenomic binning.
Delay-Adapted Policy Optimization and Improved Regret for Adversarial MDP with Delayed Bandit Feedback
Authors: Lancewicki, Tal and Rosenberg, Aviv and Sotnikov, Dmitry
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Policy Optimization (PO) is one of the most popular methods in Reinforcement Learning (RL). Thus, theoretical guarantees for PO algorithms have become especially important to the RL community. In this paper, we study PO in adversarial MDPs with a challenge that arises in almost every real-world application – <em>delayed bandit feedback</em>. We give the first near-optimal regret bounds for PO in tabular MDPs, and may even surpass state-of-the-art (which uses less efficient methods). Our novel Delay-Adapted PO (DAPO) is easy to implement and to generalize, allowing us to extend our algorithm to: (i) infinite state space under the assumption of linear $Q$-function, proving the first regret bounds for delayed feedback with function approximation. (ii) deep RL, demonstrating its effectiveness in experiments on MuJoCo domains.
Lottery Tickets in Evolutionary Optimization: On Sparse Backpropagation-Free Trainability
Authors: Lange, Robert Tjarko and Sprekeler, Henning
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Is the lottery ticket phenomenon an idiosyncrasy of gradient-based training or does it generalize to evolutionary optimization? In this paper we establish the existence of highly sparse trainable initializations for evolution strategies (ES) and characterize qualitative differences compared to gradient descent (GD)-based sparse training. We introduce a novel signal-to-noise iterative pruning procedure, which incorporates loss curvature information into the network pruning step. This can enable the discovery of even sparser trainable network initializations when using black-box evolution as compared to GD-based optimization. Furthermore, we find that these initializations encode an inductive bias, which transfers across different ES, related tasks and even to GD-based training. Finally, we compare the local optima resulting from the different optimization paradigms and sparsity levels. In contrast to GD, ES explore diverse and flat local optima and do not preserve linear mode connectivity across sparsity levels and independent runs. The results highlight qualitative differences between evolution and gradient-based learning dynamics, which can be uncovered by the study of iterative pruning procedures.
On the Occupancy Measure of Non-Markovian Policies in Continuous MDPs
Authors: Laroche, Romain and Tachet Des Combes, Remi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The state-action occupancy measure of a policy is the expected (discounted or undiscounted) number of times a state-action couple is visited in a trajectory. For decades, RL books have been reporting the occupancy equivalence between Markovian and non-Markovian policies in countable state-action spaces under mild conditions. This equivalence states that the occupancy of any non-Markovian policy can be equivalently obtained by a Markovian policy, i.e. a memoryless probability distribution, conditioned only on its current state. While expected, for technical reasons, the translation of this result to continuous state space has resisted until now. Our main contribution is to fill this gap and to provide a general measure-theoretic treatment of the problem, permitting, in particular, its extension to continuous MDPs. Furthermore, we show that when the occupancy is infinite, we may encounter some non-trivial cases where the result does not hold anymore.
Minimalistic Predictions to Schedule Jobs with Online Precedence Constraints
Authors: Lassota, Alexandra Anna and Lindermayr, Alexander and Megow, Nicole and Schlöter, Jens
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider non-clairvoyant scheduling with online precedence constraints, where an algorithm is oblivious to any job dependencies and learns about a job only if all of its predecessors have been completed. Given strong impossibility results in classical competitive analysis, we investigate the problem in a learning-augmented setting, where an algorithm has access to predictions without any quality guarantee. We discuss different prediction models: novel problem-specific models as well as general ones, which have been proposed in previous works. We present lower bounds and algorithmic upper bounds for different precedence topologies, and thereby give a structured overview on which and how additional (possibly erroneous) information helps for designing better algorithms. Along the way, we also improve bounds on traditional competitive ratios for existing algorithms.
Speeding Up Bellman Ford via Minimum Violation Permutations
Authors: Lattanzi, Silvio and Svensson, Ola and Vassilvitskii, Sergei
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The Bellman-Ford algorithm is a basic primitive for computing single source shortest paths in graphs with negative weight edges. Its running time is governed by the order the algorithm examines vertices for iterative updates on the value of their shortest path. In this work we study this problem through the lens of ’Algorithms with predictions,’ and show how to leverage auxiliary information from similar instances to improve the running time. We do this by identifying the key problem of Minimum Violation Permutations, and give algorithms with strong approximation guarantees as well as formal lower bounds. We complement the theoretical analysis with an empirical evaluation, showing that this approach can lead to a significant speed up in practice.
Who Needs to Know? Minimal Knowledge for Optimal Coordination
Authors: Lauffer, Niklas and Shah, Ameesh and Carroll, Micah and Dennis, Michael D and Russell, Stuart
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: To optimally coordinate with others in cooperative games, it is often crucial to have information about one’s collaborators: successful driving requires understanding which side of the road to drive on. However, not every feature of collaborators is strategically relevant: the fine-grained acceleration of drivers may be ignored while maintaining optimal coordination. We show that there is a well-defined dichotomy between strategically relevant and irrelevant information. Moreover, we show that, in dynamic games, this dichotomy has a compact representation that can be efficiently computed via a Bellman backup operator. We apply this algorithm to analyze the strategically relevant information for tasks in both a standard and a partially observable version of the Overcooked environment. Theoretical and empirical results show that our algorithms are significantly more efficient than baselines. Videos are available at https://minknowledge.github.io.
Target-based Surrogates for Stochastic Optimization
Authors: Lavington, Jonathan Wilder and Vaswani, Sharan and Babanezhad Harikandeh, Reza and Schmidt, Mark and Le Roux, Nicolas
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a <em>target space</em> (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the $SSO$ algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for $SSO$ when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of $SSO$.
Cluster Explanation via Polyhedral Descriptions
Authors: Lawless, Connor and Gunluk, Oktay
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: This paper focuses on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing a polyhedron around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs the common approach of sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.
Pre-training for Speech Translation: CTC Meets Optimal Transport
Authors: Le, Phuong-Hang and Gong, Hongyu and Wang, Changhan and Pino, Juan and Lecouteux, Benjamin and Schwab, Didier
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: The gap between speech and text modalities is a major challenge in speech-to-text translation (ST). Different methods have been proposed to reduce this gap, but most of them require architectural changes in ST training. In this work, we propose to mitigate this issue at the pre-training stage, requiring no change in the ST model. First, we show that the connectionist temporal classification (CTC) loss can reduce the modality gap by design. We provide a quantitative comparison with the more common cross-entropy loss, showing that pre-training with CTC consistently achieves better final ST accuracy. Nevertheless, CTC is only a partial solution and thus, in our second contribution, we propose a novel pre-training method combining CTC and optimal transport to further reduce this gap. Our method pre-trains a Siamese-like model composed of two encoders, one for acoustic inputs and the other for textual inputs, such that they produce representations that are close to each other in the Wasserstein space. Extensive experiments on the standard CoVoST-2 and MuST-C datasets show that our pre-training method applied to the vanilla encoder-decoder Transformer achieves state-of-the-art performance under the no-external-data setting, and performs on par with recent strong multi-task learning systems trained with external data. Finally, our method can also be applied on top of these multi-task systems, leading to further improvements for these models.
Bootstrapped Representations in Reinforcement Learning
Authors: Le Lan, Charline and Tu, Stephen and Rowland, Mark and Harutyunyan, Anna and Agarwal, Rishabh and Bellemare, Marc G and Dabney, Will
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In reinforcement learning (RL), state representations are key to dealing with large or continuous state spaces. While one of the promises of deep learning algorithms is to automatically construct features well-tuned for the task they try to solve, such a representation might not emerge from end-to-end training of deep RL agents. To mitigate this issue, auxiliary objectives are often incorporated into the learning process and help shape the learnt state representation. Bootstrapping methods are today’s method of choice to make these additional predictions. Yet, it is unclear which features these algorithms capture and how they relate to those from other auxiliary-task-based approaches. In this paper, we address this gap and provide a theoretical characterization of the state representation learnt by temporal difference learning (Sutton, 1988). Surprisingly, we find that this representation differs from the features learned by Monte Carlo and residual gradient algorithms for most transition structures of the environment in the policy evaluation setting. We describe the efficacy of these representations for policy evaluation, and use our theoretical analysis to design new auxiliary learning rules. We complement our theoretical results with an empirical comparison of these learning rules for different cumulant functions on classic domains such as the four-room domain (Sutton et al, 1999) and Mountain Car (Moore, 1990).
Strategic Classification with Unknown User Manipulations
Authors: Lechner, Tosca and Urner, Ruth and Ben-David, Shai
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In many human-centric applications for Machine Learning instances will adapt to a classifier after its deployment. The field of strategic classification deals with this issue by aiming for a classifier that balances the trade-off between correctness and robustness to manipulation. This task is made harder if the underlying manipulation structure (i.e. the set of manipulations available at every instance) is unknown to the learner. We propose a novel batch-learning setting in which we use unlabeled data from previous rounds to estimate the manipulation structure. We show that in this batch-learning setting it is possible to learn a close-to-optimal classifier in terms of the strategic loss even without knowing the feasible manipulations beforehand. In line with recent advances in the strategic classification literature, we do not assume a best-response from agents but only require that observed manipulations are feasible.
Learning in POMDPs is Sample-Efficient with Hindsight Observability
Authors: Lee, Jonathan and Agarwal, Alekh and Dann, Christoph and Zhang, Tong
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: POMDPs capture a broad class of decision making problems, but hardness results suggest that learning is intractable even in simple settings due to the inherent partial observability. However, in many realistic problems, more information is either revealed or can be computed during some point of the learning process. Motivated by diverse applications ranging from robotics to data center scheduling, we formulate a Hindsight Observable Markov Decision Process (HOMDP) as a POMDP where the latent states are revealed to the learner in hindsight and only during training. We introduce new algorithms for the tabular and function approximation settings that are provably sample-efficient with hindsight observability, even in POMDPs that would otherwise be statistically intractable. We give a lower bound showing that the tabular algorithm is optimal in its dependence on latent state and observation cardinalities.
Towards Deep Attention in Graph Neural Networks: Problems and Remedies
Authors: Lee, Soo Yong and Bu, Fanchen and Yoo, Jaemin and Shin, Kijung
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the weight of its propagation. Despite their popularity, the discussion on deep graph attention and its unique challenges has been limited. In this work, we investigate some problematic phenomena related to deep graph attention, including vulnerability to over-smoothed features and smooth cumulative attention. Through theoretical and empirical analyses, we show that various attention-based GNNs suffer from these problems. Motivated by our findings, we propose AERO-GNN, a novel GNN architecture designed for deep graph attention. AERO-GNN provably mitigates the proposed problems of deep graph attention, which is further empirically demonstrated with (a) its adaptive and less smooth attention functions and (b) higher performance at deep layers (up to 64). On 9 out of 12 node classification benchmarks, AERO-GNN outperforms the baseline GNNs, highlighting the advantages of deep graph attention. Our code is available at https://github.com/syleeheal/AERO-GNN.
InGram: Inductive Knowledge Graph Embedding via Relation Graphs
Authors: Lee, Jaejun and Chung, Chanyoung and Whang, Joyce Jiyoung
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Inductive knowledge graph completion has been considered as the task of predicting missing triplets between new entities that are not observed during training. While most inductive knowledge graph completion methods assume that all entities can be new, they do not allow new relations to appear at inference time. This restriction prohibits the existing methods from appropriately handling real-world knowledge graphs where new entities accompany new relations. In this paper, we propose an INductive knowledge GRAph eMbedding method, InGram, that can generate embeddings of new relations as well as new entities at inference time. Given a knowledge graph, we define a relation graph as a weighted graph consisting of relations and the affinity weights between them. Based on the relation graph and the original knowledge graph, InGram learns how to aggregate neighboring embeddings to generate relation and entity embeddings using an attention mechanism. Experimental results show that InGram outperforms 14 different state-of-the-art methods on varied inductive learning scenarios.
Optimality of Thompson Sampling with Noninformative Priors for Pareto Bandits
Authors: Lee, Jongyeong and Honda, Junya and Chiang, Chao-Kai and Sugiyama, Masashi
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.
Conditional Graph Information Bottleneck for Molecular Relational Learning
Authors: Lee, Namkyeong and Hyun, Dongmin and Na, Gyoung S. and Kim, Sungwon and Lee, Junseok and Park, Chanyoung
Published in: Proceedings of the 40th International Conference on Machine Learning (Main Conference Track), 2023

Abstract: Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.