GenAI4ELab/papercli-papers huggingface dataset:
Difference of submodular minimization via DC programming
Authors: Marwa El Halabi; George Orfanides; Tim Hoheisel
Venue: ICML 2023 (ICML 2023 OralPoster)

Abstract: Minimizing the difference of two submodular (DS) functions is a problem that naturally occurs in various machine learning problems. Although it is well known that a DS problem can be equivalently formulated as the minimization of the difference of two convex (DC) functions, existing algorithms do not fully exploit this connection. A classical algorithm for DC problems is called the DC algorithm (DCA). We introduce variants of DCA and its complete form (CDCA) that we apply to the DC program corresponding to DS minimization. We extend existing convergence properties of DCA, and connect them to convergence properties on the DS problem. Our results on DCA match the theoretical guarantees satisfied by existing DS algorithms, while providing a more complete characterization of convergence properties. In the case of CDCA, we obtain a stronger local minimality guarantee. Our numerical results show that our proposed algorithms outperform existing baselines on two applications: speech corpus selection and feature selection.
Graph Switching Dynamical Systems
Authors: Yongtuo Liu; Sara Magliacane; Miltiadis Kofinas; Efstratios Gavves
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Dynamical systems with complex behaviours, e.g. immune system cells interacting with a pathogen, are commonly modelled by splitting the behaviour in different regimes, or *modes*, each with simpler dynamics, and then learn the switching behaviour from one mode to another. To achieve this, Switching Dynamical Systems (SDS) are a powerful tool that automatically discovers these modes and mode-switching behaviour from time series data. While effective, these methods focus on *independent objects*, where the modes of one object are independent of the modes of the other objects. In this paper, we focus on the more general *interacting object* setting for switching dynamical systems, where the per-object dynamics also depend on an unknown and dynamically changing subset of other objects and their modes. To this end, we propose a novel graph-based approach for switching dynamical systems, GRAph Switching dynamical Systems (GRASS), in which we use a dynamic graph to characterize interactions between objects and learn both intra-object and inter-object mode-switching behaviour. For benchmarking, we create two new datasets, a synthesized ODE-driven particles dataset and a real-world Salsa-couple dancing dataset. Experiments show that GRASS can consistently outperforms previous state-of-the-art methods. We will release code and data after acceptance.
Improving Expert Predictions with Conformal Prediction
Authors: Eleni Straitouri; Lequn Wang; Nastaran Okati; Manuel Gomez Rodriguez
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Automated decision support systems promise to help human experts solve multiclass classification tasks more efficiently and accurately. However, existing systems typically require experts to understand when to cede agency to the system or when to exercise their own agency. Otherwise, the experts may be better off solving the classification tasks on their own. In this work, we develop an automated decision support system that, by design, does not require experts to understand when to trust the system to improve performance. Rather than providing (single) label predictions and letting experts decide when to trust these predictions, our system provides sets of label predictions constructed using conformal prediction---prediction sets---and forcefully asks experts to predict labels from these sets. By using conformal prediction, our system can precisely trade-off the probability that the true label is not in the prediction set, which determines how frequently our system will mislead the experts, and the size of the prediction set, which determines the difficulty of the classification task the experts need to solve using our system. In addition, we develop an efficient and near-optimal search method to find the conformal predictor under which the experts benefit the most from using our system. Simulation experiments using synthetic and real expert predictions demonstrate that our system may help experts make more accurate predictions and is robust to the accuracy of the classifier the conformal predictor relies on.
Neural Wasserstein Gradient Flows for Discrepancies with Riesz Kernels
Authors: Fabian Altekrüger; Johannes Hertrich; Gabriele Steidl
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Wasserstein gradient flows of maximum mean discrepancy (MMD) functionals with non-smooth Riesz kernels show a rich structure as singular measures can become absolutely continuous ones and conversely. In this paper we contribute to the understanding of such flows. We propose to approximate the backward scheme of Jordan, Kinderlehrer and Otto for computing such Wasserstein gradient flows as well as a forward scheme for so-called Wasserstein steepest descent flows by neural networks (NNs). Since we cannot restrict ourselves to absolutely continuous measures, we have to deal with transport plans and velocity plans instead of usual transport maps and velocity fields. Indeed, we approximate the disintegration of both plans by generative NNs which are learned with respect to appropriate loss functions. In order to evaluate the quality of both neural schemes, we benchmark them on the interaction energy. Here we provide analytic formulas for Wasserstein schemes starting at a Dirac measure and show their convergence as the time step size tends to zero. Finally, we illustrate our neural MMD flows by numerical examples.
Boosting Graph Contrastive Learning via Graph Contrastive Saliency
Authors: Chunyu Wei; Yu Wang; Bing Bai; Kai Ni; David J. Brady; LU FANG
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Graph augmentation plays a crucial role in achieving good generalization for contrastive graph self-supervised learning. However, mainstream Graph Contrastive Learning (GCL) often favors random graph augmentations, by relying on random node dropout or edge perturbation on graphs. Random augmentations may inevitably lead to semantic information corruption during the training, and force the network to mistakenly focus on semantically irrelevant environmental background structures. To address these limitations and to improve generalization, we propose a novel self-supervised learning framework for GCL, which can adaptively screen the semantic-related substructure in graphs by capitalizing on the proposed gradient-based Graph Contrastive Saliency (GCS). The goal is to identify the most semantically discriminative structures of a graph via contrastive learning, such that we can generate semantically meaningful augmentations by leveraging on saliency. Empirical evidence on 16 benchmark datasets demonstrates the exclusive merits of the GCS-based framework. We also provide rigorous theoretical justification for GCS's robustness properties. Code is available at https://github.com/GCS2023/GCS .
Bigger, Better, Faster: Human-level Atari with human-level efficiency
Authors: Max Schwarzer; Johan Samir Obando Ceron; Aaron Courville; Marc G Bellemare; Rishabh Agarwal; Pablo Samuel Castro
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We introduce a value-based RL agent, which we call BBF, that achieves super-human performance in the Atari 100K benchmark. BBF relies on scaling the neural networks used for value estimation, as well as a number of other design choices that enable this scaling in a sample-efficient manner. We conduct extensive analyses of these design choices and provide insights for future work. We end with a discussion about updating the goalposts for sample-efficient RL research on the ALE. We make our code and data publicly available at https://github.com/google-research/google-research/tree/master/bigger_better_faster.
Nonparametric Iterative Machine Teaching
Authors: Chen Zhang; Xiaofeng Cao; Weiyang Liu; Ivor Tsang; James Kwok
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: In this paper, we consider the problem of Iterative Machine Teaching (IMT), where the teacher provides examples to the learner iteratively such that the learner can achieve fast convergence to a target model. However, existing IMT algorithms are solely based on parameterized families of target models. They mainly focus on convergence in the parameter space, resulting in difficulty when the target models are defined to be functions without dependency on parameters. To address such a limitation, we study a more general task -- Nonparametric Iterative Machine Teaching (NIMT), which aims to teach nonparametric target models to learners in an iterative fashion. Unlike parametric IMT that merely operates in the parameter space, we cast NIMT as a functional optimization problem in the function space. To solve it, we propose both random and greedy functional teaching algorithms. We obtain the iterative teaching dimension (ITD) of the random teaching algorithm under proper assumptions, which serves as a uniform upper bound of ITD in NIMT. Further, the greedy teaching algorithm has a significantly lower ITD, which reaches a tighter upper bound of ITD in NIMT. Finally, we verify the correctness of our theoretical findings with extensive experiments in nonparametric scenarios.
On the Convergence Rate of Gaussianization with Random Rotations
Authors: Felix Draxler; Lars Kühmichel; Armand Rousselot; Jens Müller; Christoph Schnoerr; Ullrich Koethe
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Gaussianization is a simple generative model that can be trained without backpropagation. It has shown compelling performance on low dimensional data. As the dimension increases, however, it has been observed that the convergence speed slows down. We show analytically that the number of required layers scales linearly with the dimension for Gaussian input. We argue that this is because the model is unable to capture dependencies between dimensions. Empirically, we find the same linear increase in cost for arbitrary input $p(x)$, but observe favorable scaling for some distributions. We explore potential speed-ups and formulate challenges for further research.
Invariance in Policy Optimisation and Partial Identifiability in Reward Learning
Authors: Joar Max Viktor Skalse; Matthew Farrugia-Roberts; Stuart Russell; Alessandro Abate; Adam Gleave
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: It is often very challenging to manually design reward functions for complex, real-world tasks. To solve this, one can instead use reward learning to infer a reward function from data. However, there are often multiple reward functions that fit the data equally well, even in the infinite-data limit. This means that the reward function is only partially identifiable. In this work, we formally characterise the partial identifiability of the reward function given several popular reward learning data sources, including expert demonstrations and trajectory comparisons. We also analyse the impact of this partial identifiability for several downstream tasks, such as policy optimisation. We unify our results in a framework for comparing data sources and downstream tasks by their invariances, with implications for the design and selection of data sources for reward learning.
Multi-User Reinforcement Learning with Low Rank Rewards
Authors: Dheeraj Mysore Nagaraj; Suhas S Kowshik; Naman Agarwal; Praneeth Netrapalli; Prateek Jain
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We consider collaborative multi-user reinforcement learning, where multiple users have the same state-action space and transition probabilities but different rewards. Under the assumption that the reward matrix of the $N$ users has a low-rank structure -- a standard and practically successful assumption in the collaborative filtering setting -- we design algorithms with significantly lower sample complexity compared to the ones that learn the MDP individually for each user. Our main contribution is an algorithm which explores rewards collaboratively with $N$ user-specific MDPs and can learn rewards efficiently in two key settings: tabular MDPs and linear MDPs. When $N$ is large and the rank is constant, the sample complexity per MDP depends logarithmically over the size of the state-space, which represents an exponential reduction (in the state-space size) when compared to the standard ``non-collaborative'' algorithms. Our main technical contribution is a method to construct policies which obtain data such that low rank matrix completion is possible (without a generative model). This goes beyond the regular RL framework and is closely related to mean field limits of multi-agent RL.
Gibbsian Polar Slice Sampling
Authors: Philip Schär; Michael Habeck; Daniel Rudolf
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Polar slice sampling (Roberts & Rosenthal, 2002) is a Markov chain approach for approximate sampling of distributions that is difficult, if not impossible, to implement efficiently, but behaves provably well with respect to the dimension. By updating the directional and radial components of chain iterates separately, we obtain a family of samplers that mimic polar slice sampling, and yet can be implemented efficiently. Numerical experiments in a variety of settings indicate that our proposed algorithm outperforms the two most closely related approaches, elliptical slice sampling (Murray et al., 2010) and hit-and-run uniform slice sampling (MacKay, 2003). We prove the well-definedness and convergence of our methods under suitable assumptions on the target distribution.
HarsanyiNet: Computing Accurate Shapley Values in a Single Forward Propagation
Authors: Lu Chen; Siyu Lou; Keyan Zhang; Jin Huang; Quanshi Zhang
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: The Shapley value is widely regarded as a trustworthy attribution metric. However, when people use Shapley values to explain the attribution of input variables of a deep neural network (DNN), it usually requires a very high computational cost to approximate relatively accurate Shapley values in real-world applications. Therefore, we propose a novel network architecture, the HarsanyiNet, which makes inferences on the input sample and simultaneously computes the exact Shapley values of the input variables in a single forward propagation. The HarsanyiNet is designed on the theoretical foundation that the Shapley value can be reformulated as the redistribution of Harsanyi interactions encoded by the network.
A Fast Optimistic Method for Monotone Variational Inequalities
Authors: Michael Sedlmayer; Dang-Khoa Nguyen; Radu Ioan Bot
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We study monotone variational inequalities that can arise as optimality conditions for constrained convex optimization or convex-concave minimax problems and propose a novel algorithm that uses only one gradient/operator evaluation and one projection onto the constraint set per iteration. The algorithm, which we call fOGDA-VI, achieves a $o(\frac{1}{k})$ rate of convergence in terms of the restricted gap function as well as the natural residual for the last iterate. Moreover, we provide a convergence guarantee for the sequence of iterates to a solution of the variational inequality. These are the best theoretical convergence results for numerical methods for (only) monotone variational inequalities reported in the literature. To empirically validate our algorithm we investigate a two-player matrix game with mixed strategies of the two players. Concluding, we show promising results regarding the application of fOGDA-VI to the training of generative adversarial nets.
Improving Hyperparameter Learning under Approximate Inference in Gaussian Process Models
Authors: Rui Li; S. T. John; Arno Solin
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Approximate inference in Gaussian process (GP) models with non-conjugate likelihoods gets entangled with the learning of the model hyperparameters. We improve hyperparameter learning in GP models and focus on the interplay between variational inference (VI) and the learning target. While VI's lower bound to the marginal likelihood is a suitable objective for inferring the approximate posterior, we show that a direct approximation of the marginal likelihood as in Expectation Propagation (EP) is a better learning objective for hyperparameter optimization. We design a hybrid training procedure to bring the best of both worlds: it leverages conjugate-computation VI for inference and uses an EP-like marginal likelihood approximation for hyperparameter learning. We compare VI, EP, Laplace approximation, and our proposed training procedure and empirically demonstrate the effectiveness of our proposal across a wide range of data sets.
Returning The Favour: When Regression Benefits From Probabilistic Causal Knowledge
Authors: Shahine Bouabid; Jake Fawkes; Dino Sejdinovic
Venue: ICML 2023 (ICML 2023 OralPoster)

Abstract: A directed acyclic graph (DAG) provides valuable prior knowledge that is often discarded in regression tasks in machine learning. We show that the independences arising from the presence of collider structures in DAGs provide meaningful inductive biases, which constrain the regression hypothesis space and improve predictive performance. We introduce collider regression, a framework to incorporate probabilistic causal knowledge from a collider in a regression problem. When the hypothesis space is a reproducing kernel Hilbert space, we prove a strictly positive generalisation benefit under mild assumptions and provide closed-form estimators of the empirical risk minimiser. Experiments on synthetic and climate model data demonstrate performance gains of the proposed methodology.
Understanding Self-Predictive Learning for Reinforcement Learning
Authors: Yunhao Tang; Zhaohan Daniel Guo; Pierre Harvey Richemond; Bernardo Avila Pires; Yash Chandak; Remi Munos; Mark Rowland; Mohammad Gheshlaghi Azar; Charline Le Lan; Clare Lyle; András György; Shantanu Thakoor; Will Dabney; Bilal Piot; Daniele Calandriello; Michal Valko
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.
Towards a better understanding of representation dynamics under TD-learning
Authors: Yunhao Tang; Remi Munos
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: TD-learning is a foundation reinforcement learning (RL) algorithm for value prediction. Critical to the accuracy of value predictions is the quality of state representations. In this work, we consider the question: how does end-to-end TD-learning impact the representation over time? Complementary to prior work, we provide a set of analysis that sheds further light on the representation dynamics under TD-learning. We first show that when the environments are reversible, end-to-end TD-learning strictly decreases the value approximation error over time. Under further assumptions on the environments, we can connect the representation dynamics with spectral decomposition over the transition matrix. This latter finding establishes fitting multiple value functions from randomly generated rewards as a useful auxiliary task for representation learning, as we empirically validate on both tabular and Atari game suites.
VA-learning as a more efficient alternative to Q-learning
Authors: Yunhao Tang; Remi Munos; Mark Rowland; Michal Valko
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: In reinforcement learning, the advantage function is critical for policy improvement, but is often extracted from a learned Q-function. A natural question is: Why not learn the advantage function directly? In this work, we introduce VA-learning, which directly learns advantage function and value function using bootstrapping, without explicit reference to Q-functions. VA-learning learns off-policy and enjoys similar theoretical guarantees as Q-learning. Thanks to the direct learning of advantage function and value function, VA-learning improves the sample efficiency over Q-learning both in tabular implementations and deep RL agents on Atari-57 games. We also identify a close connection between VA-learning and the dueling architecture, which partially explains why a simple architectural change to DQN agents tends to improve performance.
CRISP: Curriculum based Sequential neural decoders for Polar code family
Authors: S Ashwin Hebbar; Viraj Vivek Nadkarni; Ashok Vardhan Makkuva; Suma Bhat; Sewoong Oh; Pramod Viswanath
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: Polar codes are widely used state-of-the-art codes for reliable communication that have recently been included in the $5^{\text{th}}$ generation wireless standards ($5$G). However, there still remains room for design of polar decoders that are both efficient and reliable in the short blocklength regime. Motivated by recent successes of data-driven channel decoders, we introduce a novel $\textbf{ C}$ur${\textbf{RI}}$culum based $\textbf{S}$equential neural decoder for $\textbf{P}$olar codes (CRISP). We design a principled curriculum, guided by information-theoretic insights, to train CRISP and show that it outperforms the successive-cancellation (SC) decoder and attains near-optimal reliability performance on the $\text{Polar}(32,16)$ and $\text{Polar}(64,22)$ codes. The choice of the proposed curriculum is critical in achieving the accuracy gains of CRISP, as we show by comparing against other curricula. More notably, CRISP can be readily extended to Polarization-Adjusted-Convolutional (PAC) codes, where existing SC decoders are significantly less reliable. To the best of our knowledge, CRISP constructs the first data-driven decoder for PAC codes and attains near-optimal performance on the $\text{PAC}(32,16)$ code.
Sliced-Wasserstein on Symmetric Positive Definite Matrices for M/EEG Signals
Authors: Clément Bonet; Benoît Malézieux; Alain Rakotomamonjy; Lucas Drumetz; Thomas Moreau; Matthieu Kowalski; Nicolas Courty
Venue: ICML 2023 (ICML 2023 Poster)

Abstract: When dealing with electro or magnetoencephalography records, many supervised prediction tasks are solved by working with covariance matrices to summarize the signals. Learning with these matrices requires the usage of Riemanian geometry to account for their structure. In this paper, we propose a new method to deal with distributions of covariance matrices, and demonstrate its computational efficiency on M/EEG multivariate time series. More specifically, we define a Sliced-Wasserstein distance between measures of symmetric positive definite matrices that comes with strong theoretical guarantees. Then, we take advantage of its properties and kernel methods to apply this discrepancy to brain-age prediction from MEG data, and compare it to state-of-the-art algorithms based on Riemannian geometry. Finally, we show that it is an efficient surrogate to the Wasserstein distance in domain adaptation for Brain Computer Interface applications.