mtybilly/Instruct2DS huggingface dataset:
COPAL: Continual Pruning in Large Language Generative Models
Authors: Malla, Srikanth and Choi, Joon Hee and Choi, Chiho
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Adapting pre-trained large language models to different domains in natural language processing requires two key considerations: high computational demands and model’s inability to continual adaptation. To simultaneously address both issues, this paper presents COPAL (<b>CO</b>ntinual <b>P</b>runing in <b>A</b>daptive <b>L</b>anguage settings), an algorithm developed for pruning large language generative models under a continual model adaptation setting. While avoiding resource-heavy finetuning or retraining, our pruning process is guided by the proposed sensitivity analysis. The sensitivity effectively measures model’s ability to withstand perturbations introduced by the new dataset and finds model’s weights that are relevant for all encountered datasets. As a result, COPAL allows seamless model adaptation to new domains while enhancing the resource efficiency. Our empirical evaluation on a various size of LLMs show that COPAL outperforms baseline models, demonstrating its efficacy in efficiency and adaptability.
Minimum-Norm Interpolation Under Covariate Shift
Authors: Mallinar, Neil Rohit and Zane, Austin and Frei, Spencer and Yu, Bin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Transfer learning is a critical part of real-world machine learning deployments and has been extensively studied in experimental works with overparameterized neural networks. However, even in the simplest setting of linear regression a notable gap still exists in the theoretical understanding of transfer learning. In-distribution research on high-dimensional linear regression has led to the identification of a phenomenon known as <em>benign overfitting</em>, in which linear interpolators overfit to noisy training labels and yet still generalize well. This behavior occurs under specific conditions on the source covariance matrix and input data dimension. Therefore, it is natural to wonder how such high-dimensional linear models behave under transfer learning. We prove the first non-asymptotic excess risk bounds for benignly-overfit linear interpolators in the transfer learning setting. From our analysis, we propose a taxonomy of <em>beneficial</em> and <em>malignant</em> covariate shifts based on the degree of overparameterization. We follow our analysis with empirical studies that show these beneficial and malignant covariate shifts for linear interpolators on real image data, and for fully-connected neural networks in settings where the input data dimension is larger than the training sample size.
Tilting the Odds at the Lottery: the Interplay of Overparameterisation and Curricula in Neural Networks
Authors: Mannelli, Stefano Sarao and Ivashynka, Yaraslau and Saxe, Andrew M and Saglietti, Luca
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A wide range of empirical and theoretical works have shown that overparameterisation can amplify the performance of neural networks. According to the lottery ticket hypothesis, overparameterised networks have an increased chance of containing a sub-network that is well-initialised to solve the task at hand. A more parsimonious approach, inspired by animal learning, consists in guiding the learner towards solving the task by curating the order of the examples, ie. providing a curriculum. However, this learning strategy seems to be hardly beneficial in deep learning applications. In this work, we propose a theoretical analysis that connects curriculum learning and overparameterisation. In particular, we investigate their interplay in the online learning setting for a 2-layer network in the XOR-like Gaussian Mixture problem. Our results show that a high degree of overparameterisation—while simplifying the problem—can limit the benefit from curricula, providing a theoretical account of the ineffectiveness of curricula in deep learning.
Zero-Shot Unsupervised and Text-Based Audio Editing Using DDPM Inversion
Authors: Manor, Hila and Michaeli, Tomer
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Editing signals using large pre-trained models, in a zero-shot manner, has recently seen rapid advancements in the image domain. However, this wave has yet to reach the audio domain. In this paper, we explore two zero-shot editing techniques for audio signals, which use DDPM inversion with pre-trained diffusion models. The first, which we coin <em>ZEro-shot Text-based Audio (ZETA)</em> editing, is adopted from the image domain. The second, named <em>ZEro-shot UnSupervized (ZEUS)</em> editing, is a novel approach for discovering semantically meaningful editing directions without supervision. When applied to music signals, this method exposes a range of musically interesting modifications, from controlling the participation of specific instruments to improvisations on the melody. Samples and code can be found on our examples page.
Submodular framework for structured-sparse optimal transport
Authors: Manupriya, Piyushi and Jawanpuria, Pratik and Gurumoorthy, Karthik S. and Jagarlapudi, Sakethanath and Mishra, Bamdev
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Unbalanced optimal transport (UOT) has recently gained much attention due to its flexible framework for handling un-normalized measures and its robustness properties. In this work, we explore learning (structured) sparse transport plans in the UOT setting, i.e., transport plans have an upper bound on the number of non-sparse entries in each column (structured sparse pattern) or in the whole plan (general sparse pattern). We propose novel sparsity-constrained UOT formulations building on the recently explored maximum mean discrepancy based UOT. We show that the proposed optimization problem is equivalent to the maximization of a weakly submodular function over a uniform matroid or a partition matroid. We develop efficient gradient-based discrete greedy algorithms and provide the corresponding theoretical guarantees. Empirically, we observe that our proposed greedy algorithms select a diverse support set and we illustrate the efficacy of the proposed approach in various applications.
Large Language Models are Geographically Biased
Authors: Manvi, Rohin and Khanna, Samar and Burke, Marshall and Lobell, David B. and Ermon, Stefano
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) inherently carry the biases contained in their training corpora, which can lead to the perpetuation of societal harm. As the impact of these foundation models grows, understanding and evaluating their biases becomes crucial to achieving fairness and accuracy. We propose to study what LLMs know about the world we live in through the lens of geography. This approach is particularly powerful as there is ground truth for the numerous aspects of human life that are meaningfully projected onto geographic space such as culture, race, language, politics, and religion. We show various problematic geographic biases, which we define as systemic errors in geospatial predictions. Initially, we demonstrate that LLMs are capable of making accurate zero-shot geospatial predictions in the form of ratings that show strong monotonic correlation with ground truth (Spearman’s $h̊o$ of up to 0.89). We then show that LLMs exhibit common biases across a range of objective and subjective topics. In particular, LLMs are clearly biased against locations with lower socioeconomic conditions (e.g. most of Africa) on a variety of sensitive subjective topics such as attractiveness, morality, and intelligence (Spearman’s $\o̊$ of up to 0.70). Finally, we introduce a bias score to quantify this and find that there is significant variation in the magnitude of bias across existing LLMs. Code is available on the project website: https://rohinmanvi.github.io/GeoLLM.
Position: Graph Foundation Models Are Already Here
Authors: Mao, Haitao and Chen, Zhikai and Tang, Wenzhuo and Zhao, Jianan and Ma, Yao and Zhao, Tong and Shah, Neil and Galkin, Mikhail and Tang, Jiliang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Graph Foundation Models (GFMs) are emerging as a significant research topic in the graph domain, aiming to develop graph models trained on extensive and diverse data to enhance their applicability across various tasks and domains. Developing GFMs presents unique challenges over traditional Graph Neural Networks (GNNs), which are typically trained from scratch for specific tasks on particular datasets. The primary challenge in constructing GFMs lies in effectively leveraging vast and diverse graph data to achieve positive transfer. Drawing inspiration from existing foundation models in the CV and NLP domains, we propose a novel perspective for the GFM development by advocating for a "graph vocabulary”, in which the basic transferable units underlying graphs encode the invariance on graphs. We ground the graph vocabulary construction from essential aspects including network analysis, expressiveness, and stability. Such a vocabulary perspective can potentially advance the future GFM design in line with the neural scaling laws. All relevant resources with GFM design can be found here.
Towards General Neural Surrogate Solvers with Specialized Neural Accelerators
Authors: Mao, Chenkai and Lupoiu, Robert and Dai, Tianxiang and Chen, Mingkun and Fan, Jonathan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Surrogate neural network-based partial differential equation (PDE) solvers have the potential to solve PDEs in an accelerated manner, but they are largely limited to systems featuring fixed domain sizes, geometric layouts, and boundary conditions. We propose Specialized Neural Accelerator-Powered Domain Decomposition Methods (SNAP-DDM), a DDM-based approach to PDE solving in which subdomain problems containing arbitrary boundary conditions and geometric parameters are accurately solved using an ensemble of specialized neural operators. We tailor SNAP-DDM to 2D electromagnetics and fluidic flow problems and show how innovations in network architecture and loss function engineering can produce specialized surrogate subdomain solvers with near unity accuracy. We utilize these solvers with standard DDM algorithms to accurately solve freeform electromagnetics and fluids problems featuring a wide range of domain sizes.
$H$-Consistency Guarantees for Regression
Authors: Mao, Anqi and Mohri, Mehryar and Zhong, Yutao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We present a detailed study of $H$-consistency bounds for regression. We first present new theorems that generalize the tools previously given to establish $H$-consistency bounds. This generalization proves essential for analyzing $H$-consistency bounds specific to regression. Next, we prove a series of novel $H$-consistency bounds for surrogate loss functions of the squared loss, under the assumption of a symmetric distribution and a bounded hypothesis set. This includes positive results for the Huber loss, all $\ell_p$ losses, $p ≥ 1$, the squared $ε$-insensitive loss, as well as a negative result for the $ε$-insensitive loss used in Support Vector Regression (SVR). We further leverage our analysis of $H$-consistency for regression and derive principled surrogate losses for adversarial regression (Section 5). This readily establishes novel algorithms for adversarial regression, for which we report favorable experimental results in Section 6.
Regression with Multi-Expert Deferral
Authors: Mao, Anqi and Mohri, Mehryar and Zhong, Yutao
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Learning to defer with multiple experts is a framework where the learner can choose to defer the prediction to several experts. While this problem has received significant attention in classification contexts, it presents unique challenges in regression due to the infinite and continuous nature of the label space. In this work, we introduce a novel framework of <em>regression with deferral</em>, which involves deferring the prediction to multiple experts. We present a comprehensive analysis for both the single-stage scenario, where there is simultaneous learning of predictor and deferral functions, and the two-stage scenario, which involves a pre-trained predictor with a learned deferral function. We introduce new surrogate loss functions for both scenarios and prove that they are supported by $H$-consistency bounds. These bounds provide consistency guarantees that are stronger than Bayes consistency, as they are non-asymptotic and hypothesis set-specific. Our framework is versatile, applying to multiple experts, accommodating any bounded regression losses, addressing both instance-dependent and label-dependent costs, and supporting both single-stage and two-stage methods. Our single-stage formulation subsumes as a special case the recent <em>regression with abstention</em> (Cheng et al., 2023) framework, where only a single expert is considered, specifically for the squared loss and a label-independent cost. Minimizing our proposed loss functions directly leads to novel algorithms for regression with deferral. We report the results of extensive experiments showing the effectiveness of our proposed algorithms.
No-Regret Reinforcement Learning in Smooth MDPs
Authors: Maran, Davide and Metelli, Alberto Maria and Papini, Matteo and Restelli, Marcello
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Obtaining no-regret guarantees for reinforcement learning (RL) in the case of problems with continuous state and/or action spaces is still one of the major open challenges in the field. Recently, a variety of solutions have been proposed, but besides very specific settings, the general problem remains unsolved. In this paper, we introduce a novel structural assumption on the Markov decision processes (MDPs), namely $ν-$smoothness, that generalizes most of the settings proposed so far (e.g., linear MDPs and Lipschitz MDPs). To face this challenging scenario, we propose two algorithms for regret minimization in $ν-$smooth MDPs. Both algorithms build upon the idea of constructing an MDP representation through an orthogonal feature map based on Legendre polynomials. The first algorithm, Legendre-Eleanor, archives the no-regret property under weaker assumptions but is computationally inefficient, whereas the second one, Legendre-LSVI, runs in polynomial time, although for a smaller class of problems. After analyzing their regret properties, we compare our results with state-of-the-art ones from RL theory, showing that our algorithms achieve the best guarantees.
Keep the Momentum: Conservation Laws beyond Euclidean Gradient Flows
Authors: Marcotte, Sibylle and Gribonval, Rémi and Peyré, Gabriel
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Conservation laws are well-established in the context of Euclidean gradient flow dynamics, notably for linear or ReLU neural network training. Yet, their existence and principles for non-Euclidean geometries and momentum-based dynamics remain largely unknown. In this paper, we characterize "all" conservation laws in this general setting. In stark contrast to the case of gradient flows, we prove that the conservation laws for momentum-based dynamics exhibit temporal dependence. Additionally, we often observe a "conservation loss" when transitioning from gradient flow to momentum dynamics. Specifically, for linear networks, our framework allows us to identify all momentum conservation laws, which are less numerous than in the gradient flow case except in sufficiently over-parameterized regimes. With ReLU networks, no conservation law remains. This phenomenon also manifests in non-Euclidean metrics, used e.g. for Nonnegative Matrix Factorization (NMF): all conservation laws can be determined in the gradient flow context, yet none persists in the momentum case.
Quantum Theory and Application of Contextual Optimal Transport
Authors: Mariella, Nicola and Akhriev, Albert and Tacchino, Francesco and Zoufal, Christa and Gonzalez-Espitia, Juan Carlos and Harsanyi, Benedek and Koskin, Eugene and Tavernelli, Ivano and Woerner, Stefan and Rapsomaniki, Marianna and Zhuk, Sergiy and Born, Jannis
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Optimal Transport (OT) has fueled machine learning (ML) across many domains. When paired data measurements $(\boldsymbolμ, \boldsymbolν)$ are coupled to covariates, a challenging conditional distribution learning setting arises. Existing approaches for learning a <em>global</em> transport map parameterized through a potentially unseen context utilize Neural OT and largely rely on Brenier’s theorem. Here, we propose a first-of-its-kind quantum computing formulation for amortized optimization of contextualized transportation plans. We exploit a direct link between doubly stochastic matrices and unitary operators thus unravelling a natural connection between OT and quantum computation. We verify our method (QontOT) on synthetic and real data by predicting variations in cell type distributions conditioned on drug dosage. Importantly we conduct a 24-qubit hardware experiment on a task challenging for classical computers and report a performance that cannot be matched with our classical neural OT approach. In sum, this is a first step toward learning to predict contextualized transportation plans through quantum computing.
Graph-based Forecasting with Missing Data through Spatiotemporal Downsampling
Authors: Marisca, Ivan and Alippi, Cesare and Bianchi, Filippo Maria
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Given a set of synchronous time series, each associated with a sensor-point in space and characterized by inter-series relationships, the problem of spatiotemporal forecasting consists of predicting future observations for each point. Spatiotemporal graph neural networks achieve striking results by representing the relationships across time series as a graph. Nonetheless, most existing methods rely on the often unrealistic assumption that inputs are always available and fail to capture hidden spatiotemporal dynamics when part of the data is missing. In this work, we tackle this problem through hierarchical spatiotemporal downsampling. The input time series are progressively coarsened over time and space, obtaining a pool of representations that capture heterogeneous temporal and spatial dynamics. Conditioned on observations and missing data patterns, such representations are combined by an interpretable attention mechanism to generate the forecasts. Our approach outperforms state-of-the-art methods on synthetic and real-world benchmarks under different missing data distributions, particularly in the presence of contiguous blocks of missing values.
A Unified View of FANOVA: A Comprehensive Bayesian Framework for Component Selection and Estimation
Authors: Marnissi, Yosra and Leiber, Maxime
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper presents a comprehensive Bayesian framework for FANOVA models. We provide guidelines for tuning and practical implementation to improve scalability of learning and prediction. Our model is very flexible and can handle different levels of sparsity across and within decomposition orders, as well as among covariates. This flexibility enables the modeling of complex real-world data while enhancing interpretability. Additionally, it allows our model to unify diverse deterministic and Bayesian non-parametric approaches into a single equation, making comparisons and understanding easier. Notably, our model serves as the Bayesian counterpart of several deterministic methods allowing uncertainty quantification. This general framework unlocks potential for novel model developments that have been previously overlooked, such as the proposed Dirichlet mixing model that addresses limitations of existing models.
Expand-and-Cluster: Parameter Recovery of Neural Networks
Authors: Martinelli, Flavio and Simsek, Berfin and Gerstner, Wulfram and Brea, Johanni
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Can we identify the weights of a neural network by probing its input-output mapping? At first glance, this problem seems to have many solutions because of permutation, overparameterisation and activation function symmetries. Yet, we show that the incoming weight vector of each neuron is identifiable up to sign or scaling, depending on the activation function. Our novel method ’Expand-and-Cluster’ can identify layer sizes and weights of a target network for all commonly used activation functions. Expand-and-Cluster consists of two phases: (i) to relax the non-convex optimisation problem, we train multiple overparameterised student networks to best imitate the target function; (ii) to reverse engineer the target network’s weights, we employ an ad-hoc clustering procedure that reveals the learnt weight vectors shared between students – these correspond to the target weight vectors. We demonstrate successful weights and size recovery of trained shallow and deep networks with less than 10% overhead in the layer size and describe an ’ease-of-identifiability’ axis by analysing 150 synthetic problems of variable difficulty.
Convergence and Trade-Offs in Riemannian Gradient Descent and Riemannian Proximal Point
Authors: Martínez-Rubio, David and Roux, Christophe and Pokutta, Sebastian
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we analyze two of the most fundamental algorithms in geodesically convex optimization: Riemannian gradient descent and (possibly inexact) Riemannian proximal point. We quantify their rates of convergence and produce different variants with several trade-offs. Crucially, we show the iterates naturally stay in a ball around an optimizer, of radius depending on the initial distance and, in some cases, on the curvature. Previous works simply assumed bounded iterates, resulting in rates that were not fully quantified. We also provide an implementable inexact proximal point algorithm and prove several new useful properties of Riemannian proximal methods: they work when positive curvature is present, the proximal operator does not move points away from any optimizer, and we quantify the smoothness of its induced Moreau envelope. Further, we explore beyond our theory with empirical tests.
Using AI Uncertainty Quantification to Improve Human Decision-Making
Authors: Marusich, Laura and Bakdash, Jonathan and Zhou, Yan and Kantarcioglu, Murat
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: AI Uncertainty Quantification (UQ) has the potential to improve human decision-making beyond AI predictions alone by providing additional probabilistic information to users. The majority of past research on AI and human decision-making has concentrated on model explainability and interpretability, with little focus on understanding the potential impact of UQ on human decision-making. We evaluated the impact on human decision-making for instance-level UQ, calibrated using a strict scoring rule, in two online behavioral experiments. In the first experiment, our results showed that UQ was beneficial for decision-making performance compared to only AI predictions. In the second experiment, we found UQ had generalizable benefits for decision-making across a variety of representations for probabilistic information. These results indicate that implementing high quality, instance-level UQ for AI may improve decision-making with real systems compared to AI predictions alone.
On the Tractability of SHAP Explanations under Markovian Distributions
Authors: Marzouk, Reda and De La Higuera, Colin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Thanks to its solid theoretical foundation, the SHAP framework is arguably one the most widely utilized frameworks for local explainability of ML models. Despite its popularity, its exact computation is known to be very challenging, proven to be NP-Hard in various configurations. Recent works have unveiled positive complexity results regarding the computation of the SHAP score for specific model families, encompassing decision trees, random forests, and some classes of boolean circuits. Yet, all these positive results hinge on the assumption of feature independence, often simplistic in real-world scenarios. In this article, we investigate the computational complexity of the SHAP score by relaxing this assumption and introducing a Markovian perspective. We show that, under the Markovian assumption, computing the SHAP score for the class of Weighted automata, Disjoint DNFs and Decision Trees can be performed in polynomial time, offering a first positive complexity result for the problem of SHAP score computation that transcends the limitations of the feature independence assumption.
Classification under Nuisance Parameters and Generalized Label Shift in Likelihood-Free Inference
Authors: Masserano, Luca and Shen, Alexander and Doro, Michele and Dorigo, Tommaso and Izbicki, Rafael and Lee, Ann B.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: An open scientific challenge is how to classify events with reliable measures of uncertainty, when we have a mechanistic model of the data-generating process but the distribution over both labels and latent nuisance parameters is different between train and target data. We refer to this type of distributional shift as generalized label shift (GLS). Direct classification using observed data $퐗$ as covariates leads to biased predictions and invalid uncertainty estimates of labels $Y$. We overcome these biases by proposing a new method for robust uncertainty quantification that casts classification as a hypothesis testing problem under nuisance parameters. The key idea is to estimate the classifier’s receiver operating characteristic (ROC) across the entire nuisance parameter space, which allows us to devise cutoffs that are invariant under GLS. Our method effectively endows a pre-trained classifier with domain adaptation capabilities and returns valid prediction sets while maintaining high power. We demonstrate its performance on two challenging scientific problems in biology and astroparticle physics with data from realistic mechanistic models.
On the Consistency of Kernel Methods with Dependent Observations
Authors: Massiani, Pierre-François and Trimpe, Sebastian and Solowjow, Friedrich
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The consistency of a learning method is usually established under the assumption that the observations are a realization of an independent and identically distributed (i.i.d.) or mixing process. Yet, kernel methods such as support vector machines (SVMs), Gaussian processes, or conditional kernel mean embeddings (CKMEs) all give excellent performance under sampling schemes that are obviously non-i.i.d., such as when data comes from a dynamical system. We propose the new notion of <em>empirical weak convergence (EWC)</em> as a general assumption explaining such phenomena for kernel methods. It assumes the existence of a random asymptotic data distribution and is a strict weakening of previous assumptions in the field. Our main results then establish consistency of SVMs, kernel mean embeddings, and general Hilbert-space valued empirical expectations with EWC data. Our analysis holds for both finite- and infinite-dimensional outputs, as we extend classical results of statistical learning to the latter case. In particular, it is also applicable to CKMEs. Overall, our results open new classes of processes to statistical learning and can serve as a foundation for a theory of learning beyond i.i.d. and mixing.
Online Variational Sequential Monte Carlo
Authors: Mastrototaro, Alessandro and Olsson, Jimmy
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Being the most classical generative model for serial data, state-space models (SSM) are fundamental in AI and statistical machine learning. In SSM, any form of parameter learning or latent state inference typically involves the computation of complex latent-state posteriors. In this work, we build upon the variational sequential Monte Carlo (VSMC) method, which provides computationally efficient and accurate model parameter estimation and Bayesian latent-state inference by combining particle methods and variational inference. While standard VSMC operates in the offline mode, by re-processing repeatedly a given batch of data, we distribute the approximation of the gradient of the VSMC surrogate ELBO in time using stochastic approximation, allowing for online learning in the presence of streams of data. This results in an algorithm, online VSMC, that is capable of performing efficiently, entirely on-the-fly, both parameter estimation and particle proposal adaptation. In addition, we provide rigorous theoretical results describing the algorithm’s convergence properties as the number of data tends to infinity as well as numerical illustrations of its excellent convergence properties and usefulness also in batch-processing settings.
Amortized Variational Deep Kernel Learning
Authors: Matias, Alan L. S. and Mattos, César Lincoln and Gomes, João Paulo Pordeus and Mesquita, Diego
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Deep kernel learning (DKL) marries the uncertainty quantification of Gaussian processes (GPs) and the representational power of deep neural networks. However, training DKL is challenging and often leads to overfitting. Most notably, DKL often learns “non-local” kernels — incurring spurious correlations. To remedy this issue, we propose using amortized inducing points and a parameter-sharing scheme, which ties together the amortization and DKL networks. This design imposes an explicit dependency between the ELBO’s model fit and capacity terms. In turn, this prevents the former from dominating the optimization procedure and incurring the aforementioned spurious correlations. Extensive experiments show that our resulting method, <em>amortized varitional</em> DKL (AVDKL), i) consistently outperforms DKL and standard GPs for tabular data; ii) achieves significantly higher accuracy than DKL in node classification tasks; and iii) leads to substantially better accuracy and negative log-likelihood than DKL on CIFAR100.
Hieros: Hierarchical Imagination on Structured State Space Sequence World Models
Authors: Mattes, Paul and Schlosser, Rainer and Herbrich, Ralf
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: One of the biggest challenges to modern deep reinforcement learning (DRL) algorithms is sample efficiency. Many approaches learn a world model in order to train an agent entirely in imagination, eliminating the need for direct environment interaction during training. However, these methods often suffer from either a lack of imagination accuracy, exploration capabilities, or runtime efficiency. We propose HIEROS, a hierarchical policy that learns time abstracted world representations and imagines trajectories at multiple time scales in latent space. HIEROS uses an S5 layer-based world model, which predicts next world states in parallel during training and iteratively during environment interaction. Due to the special properties of S5 layers, our method can train in parallel and predict next world states iteratively during imagination. This allows for more efficient training than RNN-based world models and more efficient imagination than Transformer-based world models. We show that our approach outperforms the state of the art in terms of mean and median normalized human score on the Atari 100k benchmark, and that our proposed world model is able to predict complex dynamics very accurately. We also show that HIEROS displays superior exploration capabilities compared to existing approaches.
Craftax: A Lightning-Fast Benchmark for Open-Ended Reinforcement Learning
Authors: Matthews, Michael and Beukman, Michael and Ellis, Benjamin and Samvelyan, Mikayel and Jackson, Matthew Thomas and Coward, Samuel and Foerster, Jakob Nicolaus
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Benchmarks play a crucial role in the development and analysis of reinforcement learning (RL) algorithms. We identify that existing benchmarks used for research into open-ended learning fall into one of two categories. Either they are too slow for meaningful research to be performed without enormous computational resources, like Crafter, NetHack and Minecraft, or they are not complex enough to pose a significant challenge, like Minigrid and Procgen. To remedy this, we first present Craftax-Classic: a ground-up rewrite of Crafter in JAX that runs up to 250x faster than the Python-native original. A run of PPO using 1 billion environment interactions finishes in under an hour using only a single GPU and averages 90% of the optimal reward. To provide a more compelling challenge we present the main Craftax benchmark, a significant extension of the Crafter mechanics with elements inspired from NetHack. Solving Craftax requires deep exploration, long term planning and memory, as well as continual adaptation to novel situations as more of the world is discovered. We show that existing methods including global and episodic exploration, as well as unsupervised environment design fail to make material progress on the benchmark. We therefore believe that Craftax can for the first time allow researchers to experiment in a complex, open-ended environment with limited computational resources.
Sampling in Unit Time with Kernel Fisher-Rao Flow
Authors: Maurais, Aimee and Marzouk, Youssef
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We introduce a new mean-field ODE and corresponding interacting particle systems (IPS) for sampling from an unnormalized target density. The IPS are gradient-free, available in closed form, and only require the ability to sample from a reference density and compute the (unnormalized) target-to-reference density ratio. The mean-field ODE is obtained by solving a Poisson equation for a velocity field that transports samples along the geometric mixture of the two densities, $π_0^1-t π_1^t$, which is the path of a particular Fisher-Rao gradient flow. We employ a RKHS ansatz for the velocity field, which makes the Poisson equation tractable and enables discretization of the resulting mean-field ODE over finite samples. The mean-field ODE can be additionally be derived from a discrete-time perspective as the limit of successive linearizations of the Monge-Ampère equations within a framework known as sample-driven optimal transport. We introduce a stochastic variant of our approach and demonstrate empirically that our IPS can produce high-quality samples from varied target distributions, outperforming comparable gradient-free particle systems and competitive with gradient-based alternatives.
Joint Composite Latent Space Bayesian Optimization
Authors: Maus, Natalie and Lin, Zhiyuan Jerry and Balandat, Maximilian and Bakshy, Eytan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Bayesian Optimization (BO) is a technique for sample-efficient black-box optimization that employs probabilistic models to identify promising input for evaluation. When dealing with composite-structured functions, such as $f=g ∘ h$, evaluating a specific location $x$ yields observations of both the final outcome $f(x) = g(h(x))$ as well as the intermediate output(s) $h(x)$. Previous research has shown that integrating information from these intermediate outputs can enhance BO performance substantially. However, existing methods struggle if the outputs $h(x)$ are high-dimensional. Many relevant problems fall into this setting, including in the context of generative AI, molecular design, or robotics. To effectively tackle these challenges, we introduce Joint Composite Latent Space Bayesian Optimization (JoCo), a novel framework that jointly trains neural network encoders and probabilistic models to adaptively compress high-dimensional input and output spaces into manageable latent representations. This enables effective BO on these compressed representations, allowing JoCo to outperform other state-of-the-art methods in high-dimensional BO on a wide variety of simulated and real-world problems.
HarmBench: A Standardized Evaluation Framework for Automated Red Teaming and Robust Refusal
Authors: Mazeika, Mantas and Phan, Long and Yin, Xuwang and Zou, Andy and Wang, Zifan and Mu, Norman and Sakhaee, Elham and Li, Nathaniel and Basart, Steven and Li, Bo and Forsyth, David and Hendrycks, Dan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Automated red teaming holds substantial promise for uncovering and mitigating the risks associated with the malicious use of large language models (LLMs), yet the field lacks a standardized evaluation framework to rigorously assess new methods. To address this issue, we introduce HarmBench, a standardized evaluation framework for automated red teaming. We identify several desirable properties previously unaccounted for in red teaming evaluations and systematically design HarmBench to meet these criteria. Using HarmBench, we conduct a large-scale comparison of 18 red teaming methods and 33 target LLMs and defenses, yielding novel insights. We also introduce a highly efficient adversarial training method that greatly enhances LLM robustness across a wide range of attacks, demonstrating how HarmBench enables codevelopment of attacks and defenses. We open source HarmBench at https://github.com/centerforaisafety/HarmBench.
Deep Fusion: Efficient Network Training via Pre-trained Initializations
Authors: Mazzawi, Hanna and Gonzalvo, Javier and Wunder, Michael and Jerome, Sammy and Dherin, Benoit
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Training deep neural networks for large language models (LLMs) remains computationally very expensive. To mitigate this, network growing algorithms offer potential cost savings, but their underlying mechanisms are poorly understood. In this paper, we propose a theoretical framework using backward error analysis to illuminate the dynamics of mid-training network growth. Furthermore, we introduce Deep Fusion, an efficient network training approach that leverages pre-trained initializations of smaller networks, facilitating network growth from diverse sources. Our experiments validate the power of our theoretical framework in guiding the optimal use of Deep Fusion. With carefully optimized training dynamics, Deep Fusion demonstrates significant reductions in both training time and resource consumption. Importantly, these gains are achieved without sacrificing performance. We demonstrate reduced computational requirements, and improved generalization performance on a variety of NLP tasks and T5 model sizes.
Incremental Topological Ordering and Cycle Detection with Predictions
Authors: Mccauley, Samuel and Moseley, Benjamin and Niaparast, Aidin and Singh, Shikha
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper leverages the framework of algorithms-with-predictions to design data structures for two fundamental dynamic graph problems: incremental topological ordering and cycle detection. In these problems, the input is a directed graph on $n$ nodes, and the $m$ edges arrive one by one. The data structure must maintain a topological ordering of the vertices at all times and detect if the newly inserted edge creates a cycle. The theoretically best worst-case algorithms for these problems have high update cost (polynomial in $n$ and $m$). In practice, greedy heuristics (that recompute the solution from scratch each time) perform well but can have high update cost in the worst case. In this paper, we bridge this gap by leveraging predictions to design a learned new data structure for the problems. Our data structure guarantees consistency, robustness, and smoothness with respect to predictions—that is, it has the best possible running time under perfect predictions, never performs worse than the best-known worst-case methods, and its running time degrades smoothly with the prediction error. Moreover, we demonstrate empirically that predictions, learned from a very small training dataset, are sufficient to provide significant speed-ups on real datasets.
Position: Standardization of Behavioral Use Clauses is Necessary for the Adoption of Responsible Licensing of AI
Authors: Mcduff, Daniel and Korjakow, Tim and Cambo, Scott and Benjamin, Jesse Josua and Lee, Jenny and Jernite, Yacine and Muñoz Ferrandis, Carlos and Gokaslan, Aaron and Tarkowski, Alek and Lindley, Joseph and Cooper, A. Feder and Contractor, Danish
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Growing concerns over negligent or malicious uses of AI have increased the appetite for tools that help manage the risks of the technology. In 2018, licenses with behaviorial-use clauses (commonly referred to as Responsible AI Licenses) were proposed to give developers a framework for releasing AI assets while specifying their users to mitigate negative applications. As of the end of 2023, on the order of 40,000 software and model repositories have adopted responsible AI licenses licenses. Notable models licensed with behavioral use clauses include BLOOM (language) and LLaMA2 (language), Stable Diffusion (image), and GRID (robotics). This paper explores why and how these licenses have been adopted, and why and how they have been adapted to fit particular use cases. We use a mixed-methods methodology of qualitative interviews, clustering of license clauses, and quantitative analysis of license adoption. Based on this evidence we take the position that responsible AI licenses need standardization to avoid confusing users or diluting their impact. At the same time, customization of behavioral restrictions is also appropriate in some contexts (e.g., medical domains). We advocate for “standardized customization” that can meet users’ needs and can be supported via tooling.
Roping in Uncertainty: Robustness and Regularization in Markov Games
Authors: Mcmahan, Jeremy and Artiglio, Giovanni and Xie, Qiaomin
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We study robust Markov games (RMG) with $s$-rectangular uncertainty. We show a general equivalence between computing a robust Nash equilibrium (RNE) of a $s$-rectangular RMG and computing a Nash equilibrium (NE) of an appropriately constructed regularized MG. The equivalence result yields a planning algorithm for solving $s$-rectangular RMGs, as well as provable robustness guarantees for policies computed using regularized methods. However, we show that even for just reward-uncertain two-player zero-sum matrix games, computing an RNE is PPAD-hard. Consequently, we derive a special uncertainty structure called efficient player-decomposability and show that RNE for two-player zero-sum RMG in this class can be provably solved in polynomial time. This class includes commonly used uncertainty sets such as $L_1$ and $L_ınfty$ ball uncertainty sets.
Copyright Traps for Large Language Models
Authors: Meeus, Matthieu and Shilov, Igor and Faysse, Manuel and Montjoye, Yves-Alexandre De
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Questions of fair use of copyright-protected content to train Large Language Models (LLMs) are being actively debated. Document-level inference has been proposed as a new task: inferring from black-box access to the trained model whether a piece of content has been seen during training. SOTA methods however rely on naturally occurring memorization of (part of) the content. While very effective against models that memorize significantly, we hypothesize - and later confirm - that they will not work against models that do not naturally memorize, e.g. medium-size 1B models. We here propose to use copyright traps, the inclusion of fictitious entries in original content, to detect the use of copyrighted materials in LLMs with a focus on models where memorization does not naturally occur. We carefully design a randomized controlled experimental setup, inserting traps into original content (books) and train a 1.3B LLM from scratch. We first validate that the use of content in our target model would be undetectable using existing methods. We then show, contrary to intuition, that even medium-length trap sentences repeated a significant number of times (100) are not detectable using existing methods. However, we show that longer sequences repeated a large number of times can be reliably detected (AUC=0.75) and used as copyright traps. Beyond copyright applications, our findings contribute to the study of LLM memorization: the randomized controlled setup enables us to draw causal relationships between memorization and certain sequence properties such as repetition in model training data and perplexity.
IM-3D: Iterative Multiview Diffusion and Reconstruction for High-Quality 3D Generation
Authors: Melas-Kyriazi, Luke and Laina, Iro and Rupprecht, Christian and Neverova, Natalia and Vedaldi, Andrea and Gafni, Oran and Kokkinos, Filippos
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Most text-to-3D generators build upon off-the-shelf text-to-image models trained on billions of images. They use variants of Score Distillation Sampling (SDS), which is slow, somewhat unstable, and prone to artifacts. A mitigation is to fine-tune the 2D generator to be multi-view aware, which can help distillation or can be combined with reconstruction networks to output 3D objects directly. In this paper, we further explore the design space of text-to-3D models. We significantly improve multi-view generation by considering video instead of image generators. Combined with a 3D reconstruction algorithm which, by using Gaussian splatting, can optimize a robust image-based loss, we directly produce high-quality 3D outputs from the generated views. Our new method, IM-3D, reduces the number of evaluations of the 2D generator network 10-100$\times$, resulting in a much more efficient pipeline, better quality, fewer geometric inconsistencies, and higher yield of usable 3D assets.