mtybilly/Instruct2DS huggingface dataset:
Effects of Exponential Gaussian Distribution on (Double Sampling) Randomized Smoothing
Authors: Shu, Youwei and Xiao, Xi and Wang, Derui and Cao, Yuxin and Chen, Siji and Xue, Jason and Li, Linyi and Li, Bo
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Randomized Smoothing (RS) is currently a scalable certified defense method providing robustness certification against adversarial examples. Although significant progress has been achieved in providing defenses against $\ell_p$ adversaries, the interaction between the smoothing distribution and the robustness certification still remains vague. In this work, we comprehensively study the effect of two families of distributions, named Exponential Standard Gaussian (ESG) and Exponential General Gaussian (EGG) distributions, on Randomized Smoothing and Double Sampling Randomized Smoothing (DSRS). We derive an analytic formula for ESG’s certified radius, which converges to the origin formula of RS as the dimension $d$ increases. Additionally, we prove that EGG can provide tighter constant factors than DSRS in providing $Ømega(\sqrtd)$ lower bounds of $\ell_2$ certified radius, and thus further addresses the curse of dimensionality in RS. Our experiments on real-world datasets confirm our theoretical analysis of the ESG distributions, that they provide almost the same certification under different exponents $η$ for both RS and DSRS. In addition, EGG brings a significant improvement to the DSRS certification, but the mechanism can be different when the classifier properties are different. Compared to the primitive DSRS, the increase in certified accuracy provided by EGG is prominent, up to 6.4% on ImageNet.
WISER: Weak Supervision and Supervised Representation Learning to Improve Drug Response Prediction in Cancer
Authors: Shubham, Kumar and Jayagopal, Aishwarya and Danish, Syed Mohammed and Ap, Prathosh and Rajan, Vaibhav
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Cancer, a leading cause of death globally, occurs due to genomic changes and manifests heterogeneously across patients. To advance research on personalized treatment strategies, the effectiveness of various drugs on cells derived from cancers (’cell lines’) is experimentally determined in laboratory settings. Nevertheless, variations in the distribution of genomic data and drug responses between cell lines and humans arise due to biological and environmental differences. Moreover, while genomic profiles of many cancer patients are readily available, the scarcity of corresponding drug response data limits the ability to train machine learning models that can predict drug response in patients effectively. Recent cancer drug response prediction methods have largely followed the paradigm of unsupervised domain-invariant representation learning followed by a downstream drug response classification step. Introducing supervision in both stages is challenging due to heterogeneous patient response to drugs and limited drug response data. This paper addresses these challenges through a novel representation learning method in the first phase and weak supervision in the second. Experimental results on real patient data demonstrate the efficacy of our method WISER (Weak supervISion and supErvised Representation learning) over state-of-the-art alternatives on predicting personalized drug response. Our implementation is available at https://github.com/kyrs/WISER
TIC-TAC: A Framework For Improved Covariance Estimation In Deep Heteroscedastic Regression
Authors: Shukla, Megh and Salzmann, Mathieu and Alahi, Alexandre
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Deep heteroscedastic regression involves jointly optimizing the mean and covariance of the predicted distribution using the negative log-likelihood. However, recent works show that this may result in sub-optimal convergence due to the challenges associated with covariance estimation. While the literature addresses this by proposing alternate formulations to mitigate the impact of the predicted covariance, we focus on improving the predicted covariance itself. We study two questions: (1) Does the predicted covariance truly capture the randomness of the predicted mean? (2) In the absence of supervision, how can we quantify the accuracy of covariance estimation? We address (1) with a <em>Taylor Induced Covariance (TIC)</em>, which captures the randomness of the predicted mean by incorporating its gradient and curvature through the second order Taylor polynomial. Furthermore, we tackle (2) by introducing a <em>Task Agnostic Correlations (TAC)</em> metric, which combines the notion of correlations and absolute error to evaluate the covariance. We evaluate TIC-TAC across multiple experiments spanning synthetic and real-world datasets. Our results show that not only does TIC accurately learn the covariance, it additionally facilitates an improved convergence of the negative log-likelihood. Our code is available at https://github.com/vita-epfl/TIC-TAC
Towards a Better Theoretical Understanding of Independent Subnetwork Training
Authors: Shulgin, Egor and Richtárik, Peter
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Modern advancements in large-scale machine learning would be impossible without the paradigm of data-parallel distributed computing. Since distributed computing with large-scale models imparts excessive pressure on communication channels, significant recent research has been directed toward co-designing communication compression strategies and training algorithms with the goal of reducing communication costs. While pure data parallelism allows better data scaling, it suffers from poor model scaling properties. Indeed, compute nodes are severely limited by memory constraints, preventing further increases in model size. For this reason, the latest achievements in training giant neural network models also rely on some form of model parallelism. In this work, we take a closer theoretical look at Independent Subnetwork Training (IST), which is a recently proposed and highly effective technique for solving the aforementioned problems. We identify fundamental differences between IST and alternative approaches, such as distributed methods with compressed communication, and provide a precise analysis of its optimization performance on a quadratic model.
Weakly Convex Regularisers for Inverse Problems: Convergence of Critical Points and Primal-Dual Optimisation
Authors: Shumaylov, Zakhar and Budd, Jeremy and Mukherjee, Subhadip and Schönlieb, Carola-Bibiane
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Variational regularisation is the primary method for solving inverse problems, and recently there has been considerable work leveraging deeply learned regularisation for enhanced performance. However, few results exist addressing the convergence of such regularisation, particularly within the context of critical points as opposed to global minimisers. In this paper, we present a generalised formulation of convergent regularisation in terms of critical points, and show that this is achieved by a class of weakly convex regularisers. We prove convergence of the primal-dual hybrid gradient method for the associated variational problem, and, given a Kurdyka-Łojasiewicz condition, an $\mathcalO(łogk/k)$ ergodic convergence rate. Finally, applying this theory to learned regularisation, we prove universal approximation for input weakly convex neural networks (IWCNN), and show empirically that IWCNNs can lead to improved performance of learned adversarial regularisers for computed tomography (CT) reconstruction.
Self-Supervised Coarsening of Unstructured Grid with Automatic Differentiation
Authors: Shumilin, Sergei and Ryabov, Alexander and Yavich, Nikolay and Burnaev, Evgeny and Vanovskiy, Vladimir
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Due to the high computational load of modern numerical simulation, there is a demand for approaches that would reduce the size of discrete problems while keeping the accuracy reasonable. In this work, we present an original algorithm to coarsen an unstructured grid based on the concepts of differentiable physics. We achieve this by employing $k$-means clustering, autodifferentiation and stochastic minimization algorithms. We demonstrate performance of the designed algorithm on two PDEs: a linear parabolic equation which governs slightly compressible fluid flow in porous media and the wave equation. Our results show that in the considered scenarios, we reduced the number of grid points up to 10 times while preserving the modeled variable dynamics in the points of interest. The proposed approach can be applied to the simulation of an arbitrary system described by evolutionary partial differential equations.
IOI: Invisible One-Iteration Adversarial Attack on No-Reference Image- and Video-Quality Metrics
Authors: Shumitskaya, Ekaterina and Antsiferova, Anastasia and Vatolin, Dmitriy S.
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: No-reference image- and video-quality metrics are widely used in video processing benchmarks. The robustness of learning-based metrics under video attacks has not been widely studied. In addition to having success, attacks on metrics that can be employed in video processing benchmarks must be fast and imperceptible. This paper introduces an Invisible One-Iteration (IOI) adversarial attack on no-reference image and video quality metrics. The proposed method uses two modules to ensure high visual quality and temporal stability of adversarial videos and runs for one iteration, which makes it fast. We compared our method alongside eight prior approaches using image and video datasets via objective and subjective tests. Our method exhibited superior visual quality across various attacked metric architectures while maintaining comparable attack success and speed. We made the code available on GitHub: https://github.com/katiashh/ioi-attack.
InterpreTabNet: Distilling Predictive Signals from Tabular Data by Salient Feature Interpretation
Authors: Si, Jacob Yoke Hong and Cheng, Wendy Yusi and Cooper, Michael and Krishnan, Rahul
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Tabular data are omnipresent in various sectors of industries. Neural networks for tabular data such as TabNet have been proposed to make predictions while leveraging the attention mechanism for interpretability. However, the inferred attention masks are often dense, making it challenging to come up with rationales about the predictive signal. To remedy this, we propose InterpreTabNet, a variant of the TabNet model that models the attention mechanism as a latent variable sampled from a Gumbel-Softmax distribution. This enables us to regularize the model to learn distinct concepts in the attention masks via a KL Divergence regularizer. It prevents overlapping feature selection by promoting sparsity which maximizes the model’s efficacy and improves interpretability to determine the important features when predicting the outcome. To assist in the interpretation of feature interdependencies from our model, we employ a large language model (GPT-4) and use prompt engineering to map from the learned feature mask onto natural language text describing the learned signal. Through comprehensive experiments on real-world datasets, we demonstrate that InterpreTabNet outperforms previous methods for interpreting tabular data while attaining competitive accuracy.
Embarrassingly Parallel GFlowNets
Authors: Silva, Tiago and Carvalho, Luiz Max and Souza, Amauri H and Kaski, Samuel and Mesquita, Diego
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: GFlowNets are a promising alternative to MCMC sampling for discrete compositional random variables. Training GFlowNets requires repeated evaluations of the unnormalized target distribution, or reward function. However, for large-scale posterior sampling, this may be prohibitive since it incurs traversing the data several times. Moreover, if the data are distributed across clients, employing standard GFlowNets leads to intensive client-server communication. To alleviate both these issues, we propose <em>embarrassingly parallel</em> GFlowNet (EP-GFlowNet). EP-GFlowNet is a provably correct divide-and-conquer method to sample from product distributions of the form $R(·) ∝ R_1(·) ... R_N(·)$ — e.g., in parallel or federated Bayes, where each $R_n$ is a local posterior defined on a data partition. First, in parallel, we train a local GFlowNet targeting each $R_n$ and send the resulting models to the server. Then, the server learns a global GFlowNet by enforcing our newly proposed <em>aggregating balance</em> condition, requiring a single communication step. Importantly, EP-GFlowNets can also be applied to multi-objective optimization and model reuse. Our experiments illustrate the effectiveness of EP-GFlowNets on multiple tasks, including parallel Bayesian phylogenetics, multi-objective multiset and sequence generation, and federated Bayesian structure learning.
On the Unexpected Effectiveness of Reinforcement Learning for Sequential Recommendation
Authors: Silva, Álvaro Labarca and Parra, Denis and Icarte, Rodrigo Toro
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In recent years, Reinforcement Learning (RL) has shown great promise in session-based recommendation. Sequential models that use RL have reached state-of-the-art performance for the Next-item Prediction (NIP) task. This result is intriguing, as the NIP task only evaluates how well the system can correctly recommend the next item to the user, while the goal of RL is to find a policy that optimizes rewards in the long term – sometimes at the expense of suboptimal short-term performance. Then, how can RL improve the system’s performance on short-term metrics? This article investigates this question by exploring proxy learning objectives, which we identify as goals RL models might be following, and thus could explain the performance boost. We found that RL – when used as an auxiliary loss – promotes the learning of embeddings that capture information about the user’s previously interacted items. Subsequently, we replaced the RL objective with a straightforward auxiliary loss designed to predict the number of items the user interacted with. This substitution results in performance gains comparable to RL. These findings pave the way to improve performance and understanding of RL methods for recommender systems.
Learning from Memory: Non-Parametric Memory Augmented Self-Supervised Learning of Visual Features
Authors: Silva, Thalles and Pedrini, Helio and Ramírez Rivera, Adín
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This paper introduces a novel approach to improving the training stability of self-supervised learning (SSL) methods by leveraging a non-parametric memory of seen concepts. The proposed method involves augmenting a neural network with a memory component to stochastically compare current image views with previously encountered concepts. Additionally, we introduce stochastic memory blocks to regularize training and enforce consistency between image views. We extensively benchmark our method on many vision tasks, such as linear probing, transfer learning, few-shot classification, and image retrieval on many datasets. The experimental results consolidate the effectiveness of the proposed approach in achieving stable SSL training without additional regularizers while learning highly transferable representations and requiring less computing time and resources.
Deletion-Anticipative Data Selection with a Limited Budget
Authors: Sim, Rachael Hwee Ling and Fan, Jue and Tian, Xiao and Jaillet, Patrick and Low, Bryan Kian Hsiang
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Learners with a limited budget can use supervised data subset selection and active learning techniques to select a smaller training set and reduce the cost of acquiring data and training <em>machine learning</em> (ML) models. However, the resulting high model performance, measured by a data utility function, may not be preserved when some data owners, enabled by the GDPR’s right to erasure, request their data to be deleted from the ML model. This raises an important question for learners who are temporarily unable or unwilling to acquire data again: <em>During the initial data acquisition of a training set of size $k$, can we proactively maximize the data utility after future unknown deletions?</em> We propose that the learner anticipates/estimates the probability that (i) each data owner in the feasible set will independently delete its data or (ii) a number of deletions occur out of $k$, and justify our proposal with concrete real-world use cases. Then, instead of directly maximizing the data utility function, the learner can maximize the expected or risk-averse post-deletion utility based on the anticipated probabilities. We further propose how to construct these <em>deletion-anticipative data selection</em> ($\textttDADS$) maximization objectives to preserve monotone submodularity and near-optimality of greedy solutions, how to optimize the objectives and empirically evaluate $\textttDADS$’ performance on real-world datasets.
Position: AI-Powered Autonomous Weapons Risk Geopolitical Instability and Threaten AI Research
Authors: Simmons-Edler, Riley and Badman, Ryan Paul and Longpre, Shayne and Rajan, Kanaka
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: The recent embrace of machine learning (ML) in the development of autonomous weapons systems (AWS) creates serious risks to geopolitical stability and the free exchange of ideas in AI research. This topic has received comparatively little attention of late compared to risks stemming from superintelligent artificial general intelligence (AGI), but requires fewer assumptions about the course of technological development and is thus a nearer-future issue. ML is already enabling the substitution of AWS for human soldiers in many battlefield roles, reducing the upfront human cost, and thus political cost, of waging offensive war. In the case of peer adversaries, this increases the likelihood of "low intensity" conflicts which risk escalation to broader warfare. In the case of non-peer adversaries, it reduces the domestic blowback to wars of aggression. This effect can occur regardless of other ethical issues around the use of military AI such as the risk of civilian casualties, and does not require any superhuman AI capabilities. Further, the military value of AWS raises the specter of an AI-powered arms race and the misguided imposition of national security restrictions on AI research. Our goal in this paper is to raise awareness among the public and ML researchers on the near-future risks posed by full or near-full autonomy in military technology, and we provide regulatory suggestions to mitigate these risks. We call upon AI policy experts and the defense AI community in particular to embrace transparency and caution in their development and deployment of AWS to avoid the negative effects on global stability and AI research that we highlight here.
Latent variable model for high-dimensional point process with structured missingness
Authors: Sinelnikov, Maksim and Haussmann, Manuel and Lähdesmäki, Harri
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Longitudinal data are important in numerous fields, such as healthcare, sociology and seismology, but real-world datasets present notable challenges for practitioners because they can be high-dimensional, contain structured missingness patterns, and measurement time points can be governed by an unknown stochastic process. While various solutions have been suggested, the majority of them have been designed to account for only one of these challenges. In this work, we propose a flexible and efficient latent-variable model that is capable of addressing all these limitations. Our approach utilizes Gaussian processes to capture correlations between samples and their associated missingness masks as well as to model the underlying point process. We construct our model as a variational autoencoder together with deep neural network parameterised decoder and encoder models, and develop a scalable amortised variational inference approach for efficient model training. We demonstrate competitive performance using both simulated and real datasets.
Domain Generalisation via Imprecise Learning
Authors: Singh, Anurag and Chau, Siu Lun and Bouabid, Shahine and Muandet, Krikamol
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Out-of-distribution (OOD) generalisation is challenging because it involves not only learning from empirical data, but also deciding among various notions of generalisation, e.g. optimise based on the average-case risk, worst-case risk, or interpolations thereof. While this decision should in principle be decided by the model operator like medical doctors in practice, this information might not always be available at training time. This situation leads to arbitrary commitments to specific generalisation strategies by machine learners due to these deployment uncertainties. We introduce the Imprecise Domain Generalisation framework to mitigate this, featuring an imprecise risk optimisation that allows learners to stay imprecise by optimising against a continuous spectrum of generalisation strategies during training, and a model framework that allows operators to specify their generalisation preference at deployment. Our work, supported by theoretical and empirical evidence, showcases the benefits of integrating imprecision into domain generalisation.
Finite Time Logarithmic Regret Bounds for Self-Tuning Regulation
Authors: Singh, Rahul and Mete, Akshay and Kar, Avik and Kumar, Panganamala
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We establish the first finite-time logarithmic regret bounds for the self-tuning regulation problem. We introduce a modified version of the certainty equivalence algorithm, which we call PIECE, that clips inputs in addition to utilizing probing inputs for exploration. We show that it has a $C łog T$ upper bound on the regret after $T$ time-steps for bounded noise, and $Cłog^3 T$ in the case of sub-Gaussian noise, unlike the LQ problem where logarithmic regret is shown to be not possible. The PIECE algorithm is also designed to address the critical challenge of poor initial transient performance of reinforcement learning algorithms for linear systems. Comparative simulation results illustrate the improved performance of PIECE.
What needs to go right for an induction head? A mechanistic study of in-context learning circuits and their formation
Authors: Singh, Aaditya K and Moskovitz, Ted and Hill, Felix and Chan, Stephanie C.Y. and Saxe, Andrew M
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In-context learning is a powerful emergent ability in transformer models. Prior work in mechanistic interpretability has identified a circuit element that may be critical for in-context learning – the induction head (IH), which performs a match-and-copy operation. During training of large transformers on natural language data, IHs emerge around the same time as a notable phase change in the loss. Despite the robust evidence for IHs and this interesting coincidence with the phase change, relatively little is known about the diversity and emergence dynamics of IHs. Why is there more than one IH, and how are they dependent on each other? Why do IHs appear all of a sudden, and what are the subcircuits that enable them to emerge? We answer these questions by studying IH emergence dynamics in a controlled setting by training on synthetic data. In doing so, we develop and share a novel optogenetics-inspired causal framework for modifying activations throughout training. Using this framework, we delineate the diverse and additive nature of IHs. By "clamping" subsets of activations throughout training, we then identify three underlying subcircuits that interact to drive IH formation, yielding the phase change. Furthermore, these subcircuits shed light on data-dependent properties of formation, such as phase change timing, already showing the promise of this more in-depth understanding of subcircuits that need to "go right" for an induction head.
Representation Surgery: Theory and Practice of Affine Steering
Authors: Singh, Shashwat and Ravfogel, Shauli and Herzig, Jonathan and Aharoni, Roee and Cotterell, Ryan and Kumaraguru, Ponnurangam
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Language models often exhibit undesirable behavior, e.g., generating toxic or gender-biased text. In the case of neural language models, an encoding of the undesirable behavior is often present in the model’s representations. Thus, one natural (and common) approach to prevent the model from exhibiting undesirable behavior is to steer the model’s representations in a manner that reduces the probability of it generating undesirable text. This paper investigates the formal and empirical properties of steering functions, i.e., transformation of the neural language model’s representations that alter its behavior. First, we derive two optimal, in the least-squares sense, affine steering functions under different constraints. Our theory provides justification for existing approaches and offers a novel, improved steering approach. Second, we offer a series of experiments that demonstrate the empirical effectiveness of the methods in mitigating bias and reducing toxic generation.
PIPER: Primitive-Informed Preference-based Hierarchical Reinforcement Learning via Hindsight Relabeling
Authors: Singh, Utsav and Suttle, Wesley A and Sadler, Brian M. and Namboodiri, Vinay P. and Bedi, Amrit
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: In this work, we introduce PIPER: Primitive-Informed Preference-based Hierarchical reinforcement learning via Hindsight Relabeling, a novel approach that leverages preference-based learning to learn a reward model, and subsequently uses this reward model to relabel higher-level replay buffers. Since this reward is unaffected by lower primitive behavior, our relabeling-based approach is able to mitigate non-stationarity, which is common in existing hierarchical approaches, and demonstrates impressive performance across a range of challenging sparse-reward tasks. Since obtaining human feedback is typically impractical, we propose to replace the human-in-the-loop approach with our primitive-in-the-loop approach, which generates feedback using sparse rewards provided by the environment. Moreover, in order to prevent infeasible subgoal prediction and avoid degenerate solutions, we propose primitive-informed regularization that conditions higher-level policies to generate feasible subgoals for lower-level policies. We perform extensive experiments to show that PIPER mitigates non-stationarity in hierarchical reinforcement learning and achieves greater than 50$%$ success rates in challenging, sparse-reward robotic environments, where most other baselines fail to achieve any significant progress.
Byzantine Resilient and Fast Federated Few-Shot Learning
Authors: Singh, Ankit Pratap and Vaswani, Namrata
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: This work introduces a Byzantine resilient solution for learning low-dimensional linear representation. Our main contribution is the development of a provably Byzantine-resilient AltGDmin algorithm for solving this problem in a federated setting. We argue that our solution is sample-efficient, fast, and communicationefficient. In solving this problem, we also introduce a novel secure solution to the federated subspace learning meta-problem that occurs in many different applications.
Parallelized Spatiotemporal Slot Binding for Videos
Authors: Singh, Gautam and Wang, Yue and Yang, Jiawei and Ivanovic, Boris and Ahn, Sungjin and Pavone, Marco and Che, Tong
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: While modern best practices advocate for scalable architectures that support long-range interactions, object-centric models are yet to fully embrace these architectures. In particular, existing object-centric models for handling sequential inputs, due to their reliance on RNN-based implementation, show poor stability and capacity and are slow to train on long sequences. We introduce Parallelizable Spatiotemporal Binder or PSB, the first temporally-parallelizable slot learning architecture for sequential inputs. Unlike conventional RNN-based approaches, PSB produces object-centric representations, known as slots, for all time-steps in parallel. This is achieved by refining the initial slots across all time-steps through a fixed number of layers equipped with causal attention. By capitalizing on the parallelism induced by our architecture, the proposed model exhibits a significant boost in efficiency. In experiments, we test PSB extensively as an encoder within an auto-encoding framework paired with a wide variety of decoder options. Compared to the state-of-the-art, our architecture demonstrates stable training on longer sequences, achieves parallelization that results in a 60% increase in training speed, and yields performance that is on par with or better on unsupervised 2D and 3D object-centric scene decomposition and understanding.
What’s the score? Automated Denoising Score Matching for Nonlinear Diffusions
Authors: Singhal, Raghav and Goldstein, Mark and Ranganath, Rajesh
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Reversing a diffusion process by learning its score forms the heart of diffusion-based generative modeling and for estimating properties of scientific systems. The diffusion processes that are tractable center on linear processes with a Gaussian stationary distribution, limiting the kinds of models that can be built to those that target a Gaussian prior or more generally limits the kinds of problems that can be generically solved to those that have conditionally linear score functions. In this work, we introduce a family of tractable denoising score matching objectives, called local-DSM, built using local increments of the diffusion process. We show how local-DSM melded with Taylor expansions enables automated training and score estimation with nonlinear diffusion processes. To demonstrate these ideas, we use automated-DSM to train generative models using non-Gaussian priors on challenging low dimensional distributions and the CIFAR10 image dataset. Additionally, we use the automated-DSM to learn the scores for nonlinear processes studied in statistical physics.
SAPG: Split and Aggregate Policy Gradients
Authors: Singla, Jayesh and Agarwal, Ananye and Pathak, Deepak
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Despite extreme sample inefficiency, on-policy reinforcement learning, aka policy gradients, has become a fundamental tool in decision-making problems. With the recent advances in GPU-driven simulation, the ability to collect large amounts of data for RL training has scaled exponentially. However, we show that current RL methods, e.g. PPO, fail to ingest the benefit of parallelized environments beyond a certain point and their performance saturates. To address this, we propose a new on-policy RL algorithm that can effectively leverage large-scale environments by splitting them into chunks and fusing them back together via importance sampling. Our algorithm, termed SAPG, shows significantly higher performance across a variety of challenging environments where vanilla PPO and other strong baselines fail to achieve high performance. Webpage at https://sapg-rl.github.io/.
In-Context Reinforcement Learning for Variable Action Spaces
Authors: Sinii, Viacheslav and Nikulin, Alexander and Kurenkov, Vladislav and Zisman, Ilya and Kolesnikov, Sergey
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recently, it has been shown that transformers pre-trained on diverse datasets with multi-episode contexts can generalize to new reinforcement learning tasks in-context. A key limitation of previously proposed models is their reliance on a predefined action space size and structure. The introduction of a new action space often requires data re-collection and model re-training, which can be costly for some applications. In our work, we show that it is possible to mitigate this issue by proposing the Headless-AD model that, despite being trained only once, is capable of generalizing to discrete action spaces of variable size, semantic content and order. By experimenting with Bernoulli and contextual bandits, as well as a gridworld environment, we show that Headless-AD exhibits significant capability to generalize to action spaces it has never encountered, even outperforming specialized models trained for a specific set of actions on several environment configurations.
Subhomogeneous Deep Equilibrium Models
Authors: Sittoni, Pietro and Tudisco, Francesco
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Implicit-depth neural networks have grown as powerful alternatives to traditional networks in various applications in recent years. However, these models often lack guarantees of existence and uniqueness, raising stability, performance, and reproducibility issues. In this paper, we present a new analysis of the existence and uniqueness of fixed points for implicit-depth neural networks based on the concept of subhomogeneous operators and the nonlinear Perron-Frobenius theory. Compared to previous similar analyses, our theory allows for weaker assumptions on the parameter matrices, thus yielding a more flexible framework for well-defined implicit networks. We illustrate the performance of the resulting subhomogeneous networks on feedforward, convolutional, and graph neural network examples
Multi-Agent Reinforcement Learning with Hierarchical Coordination for Emergency Responder Stationing
Authors: Sivagnanam, Amutheezan and Pettet, Ava and Lee, Hunter and Mukhopadhyay, Ayan and Dubey, Abhishek and Laszka, Aron
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: An emergency responder management (ERM) system dispatches responders, such as ambulances, when it receives requests for medical aid. ERM systems can also proactively reposition responders between predesignated waiting locations to cover any gaps that arise due to the prior dispatch of responders or significant changes in the distribution of anticipated requests. Optimal repositioning is computationally challenging due to the exponential number of ways to allocate responders between locations and the uncertainty in future requests. The state-of-the-art approach in proactive repositioning is a hierarchical approach based on spatial decomposition and online Monte Carlo tree search, which may require minutes of computation for each decision in a domain where seconds can save lives. We address the issue of long decision times by introducing a novel reinforcement learning (RL) approach, based on the same hierarchical decomposition, but replacing online search with learning. To address the computational challenges posed by large, variable-dimensional, and discrete state and action spaces, we propose: (1) actor-critic based agents that incorporate transformers to handle variable-dimensional states and actions, (2) projections to fixed-dimensional observations to handle complex states, and (3) combinatorial techniques to map continuous actions to discrete allocations. We evaluate our approach using real-world data from two U.S. cities, Nashville, TN and Seattle, WA. Our experiments show that compared to the state of the art, our approach reduces computation time per decision by three orders of magnitude, while also slightly reducing average ambulance response time by 5 seconds.
Inexact Newton-type Methods for Optimisation with Nonnegativity Constraints
Authors: Smee, Oscar and Roosta, Fred
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We consider solving large scale nonconvex optimisation problems with nonnegativity constraints. Such problems arise frequently in machine learning, such as nonnegative least-squares, nonnegative matrix factorisation, as well as problems with sparsity-inducing regularisation. In such settings, first-order methods, despite their simplicity, can be prohibitively slow on ill-conditioned problems or become trapped near saddle regions, while most second-order alternatives involve non-trivially challenging subproblems. The two-metric projection framework, initially proposed by Bertsekas (1982), alleviates these issues and achieves the best of both worlds by combining projected gradient steps at the boundary of the feasible region with Newton steps in the interior in such a way that feasibility can be maintained by simple projection onto the nonnegative orthant. We develop extensions of the two-metric projection framework, which by inexactly solving the subproblems as well as employing non-positive curvature directions, are suitable for large scale and nonconvex settings. We obtain state-of-the-art convergence rates for various classes of non-convex problems and demonstrate competitive practical performance on a variety of problems.
Should we be going MAD? A Look at Multi-Agent Debate Strategies for LLMs
Authors: Smit, Andries Petrus and Grinsztajn, Nathan and Duckworth, Paul and Barrett, Thomas D and Pretorius, Arnu
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Recent advancements in large language models (LLMs) underscore their potential for responding to inquiries in various domains. However, ensuring that generative agents provide accurate and reliable answers remains an ongoing challenge. In this context, multi-agent debate (MAD) has emerged as a promising strategy for enhancing the truthfulness of LLMs. We benchmark a range of debating and prompting strategies to explore the trade-offs between cost, time, and accuracy. Importantly, we find that multi-agent debating systems, in their current form, do not reliably outperform other proposed prompting strategies, such as self-consistency and ensembling using multiple reasoning paths. However, when performing hyperparameter tuning, several MAD systems, such as Multi-Persona, perform better. This suggests that MAD protocols might not be inherently worse than other approaches, but that they are more sensitive to different hyperparameter settings and difficult to optimize. We build on these results to offer insights into improving debating strategies, such as adjusting agent agreement levels, which can significantly enhance performance and even surpass all other non-debate protocols we evaluated. We provide an open-source repository to the community with several state-of-the-art protocols together with evaluation scripts to benchmark across popular research datasets.
Probabilistic Modeling of Interpersonal Coordination Processes
Authors: Soares, Paulo and Pyarelal, Adarsh and Krishnaswamy, Meghavarshini and Butler, Emily and Barnard, Kobus
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We develop a novel probabilistic model for interpersonal coordination as a latent phenomenon explaining statistical temporal influence between multiple components in a system. For example, the state of one person can influence that of another at a later time, as indicated by their observed behaviors. We characterize coordination as the degree to which the distributions for such states at one time point are merged for the next salient time point. We evaluate our model in the context of three-person teams executing a virtual search and rescue (SAR) mission. We first use synthetic data to confirm that our technical definition of coordination is consistent with expectations and that we can recover generated coordination despite noise. We then show that captured coordination can be predictive of team performance on real data. Here we use speech vocalics and semantics to infer coordination for 36 teams carrying out two successive SAR missions. In two different datasets, we find that coordination is generally predictive of team score for the second mission, but not for the first, where teams are largely learning to play the game. In addition, we found that including a semantic modality improves prediction in some scenarios. This shows that our intuitive technical definition can capture useful explanatory aspects of team behavior.
On PI Controllers for Updating Lagrange Multipliers in Constrained Optimization
Authors: Sohrabi, Motahareh and Ramirez, Juan and Zhang, Tianyue H. and Lacoste-Julien, Simon and Gallego-Posada, Jose
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: Constrained optimization offers a powerful framework to prescribe desired behaviors in neural network models. Typically, constrained problems are solved via their min-max Lagrangian formulations, which exhibit unstable oscillatory dynamics when optimized using gradient descent-ascent. The adoption of constrained optimization techniques in the machine learning community is currently limited by the lack of reliable, general-purpose update schemes for the Lagrange multipliers. This paper proposes the νPI algorithm and contributes an optimization perspective on Lagrange multiplier updates based on PI controllers, extending the work of Stooke, Achiam and Abbeel (2020). We provide theoretical and empirical insights explaining the inability of momentum methods to address the shortcomings of gradient descent-ascent, and contrast this with the empirical success of our proposed νPI controller. Moreover, we prove that νPI generalizes popular momentum methods for single-objective minimization. Our experiments demonstrate that νPI reliably stabilizes the multiplier dynamics and its hyperparameters enjoy robust and predictable behavior.
SPADE: Sparsity-Guided Debugging for Deep Neural Networks
Authors: Soltani Moakhar, Arshia and Iofinova, Eugenia and Frantar, Elias and Alistarh, Dan
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: It is known that sparsity can improve interpretability for deep neural networks. However, existing methods in the area either require networks that are pre-trained with sparsity constraints, or impose sparsity after the fact, altering the network’s general behavior. In this paper, we demonstrate, for the first time, that sparsity can instead be incorporated into the interpretation process itself, as a sample-specific preprocessing step. Unlike previous work, this approach, which we call SPADE, does not place constraints on the trained model and does not affect its behavior during inference on the sample. Given a trained model and a target sample, SPADE uses sample-targeted pruning to provide a "trace" of the network’s execution on the sample, reducing the network to the most important connections prior to computing an interpretation. We demonstrate that preprocessing with SPADE significantly increases the accuracy of image saliency maps across several interpretability methods. Additionally, SPADE improves the usefulness of neuron visualizations, aiding humans in reasoning about network behavior. Our code is available at https://github.com/IST-DASLab/SPADE.
Connecting the Dots: Is Mode-Connectedness the Key to Feasible Sample-Based Inference in Bayesian Neural Networks?
Authors: Sommer, Emanuel and Wimmer, Lisa and Papamarkou, Theodore and Bothmann, Ludwig and Bischl, Bernd and Rügamer, David
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: A major challenge in sample-based inference (SBI) for Bayesian neural networks is the size and structure of the networks’ parameter space. Our work shows that successful SBI is possible by embracing the characteristic relationship between weight and function space, uncovering a systematic link between overparameterization and the difficulty of the sampling problem. Through extensive experiments, we establish practical guidelines for sampling and convergence diagnosis. As a result, we present a deep ensemble initialized approach as an effective solution with competitive performance and uncertainty quantification.
Hybrid Reinforcement Learning from Offline Observation Alone
Authors: Song, Yuda and Bagnell, Drew and Singh, Aarti
Published in: Proceedings of the 41st International Conference on Machine Learning (Main Conference Track), 2024

Abstract: We consider the hybrid reinforcement learning setting where the agent has access to both offline data and online interactive access. While RL research typically assumes offline data contains complete action, reward and transition information, datasets with only state information (also known as <em>observation-only</em> datasets) are more general, abundant and practical. This motivates our study of the <em>hybrid RL with observation-only offline dataset</em> framework. While the task of competing with the best policy “covered” by the offline data can be solved if a <em>reset</em> model of the environment is provided (i.e., one that can be reset to any state), we show evidence of hardness of competing when only given the weaker <em>trace</em> model (i.e., one can only reset to the initial states and must produce full traces through the environment), without further assumption of <em>admissibility</em> of the offline data. Under the admissibility assumptions– that the offline data could actually be produced by the policy class we consider– we propose the first algorithm in the trace model setting that provably matches the performance of algorithms that leverage a reset model. We also perform proof-of-concept experiments that suggest the effectiveness of our algorithm in practice.