ICML 2024 Papers

Hybrid dynamical systems are prevalent in science and engineering to express complex systems with continuous and discrete states. To learn laws of systems, all previous methods for equation discovery in hybrid systems follow a two-stage paradigm, i.e. they first group time series into small cluster fragments and then discover equations in each fragment separately through methods in non-hybrid systems. Although effective, performance is then limited because these methods ignore the commonalities in the shared dynamics of fragments that are driven by the same equations. Besides, the two-stage paradigm breaks the interdependence between categorizing and representing dynamics that jointly form hybrid systems. In this paper, we reformulate the problem and propose an end-to-end learning framework, i.e. Amortized Equation Discovery (AMORE), to jointly categorize modes and discover equations characterizing motion dynamics of each mode by all segments of the mode. Experiments on four hybrid and six non-hybrid systems demonstrate the superior performance of our method against previous methods on equation discovery, segmentation, and forecasting.

Decision support systems for classification tasks are predominantly designed to predict the value of the ground truth labels. However, since their predictions are not perfect, these systems also need to make human experts understand when and how to use these predictions to update their own predictions. Unfortunately, this has been proven challenging. In this context, it has been recently argued that an alternative type of decision support systems may circumvent this challenge. Rather than providing a single label prediction, these systems provide a set of label prediction values constructed using a conformal predictor, namely a prediction set, and forcefully ask experts to predict a label value from the prediction set. However, the design and evaluation of these systems have so far relied on stylized expert models, questioning their promise. In this paper, we revisit the design of this type of systems from the perspective of online learning and develop a methodology that does not require, nor assumes, an expert model. Our methodology leverages the nested structure of the prediction sets provided by any conformal predictor and a natural counterfactual monotonicity assumption to achieve an exponential improvement in regret in comparison to vanilla bandit algorithms. We conduct a large-scale human subject study ($n = 2{,}751$) to compare our methodology to several competitive baselines. The results show that, for decision support systems based on prediction sets, limiting experts’ level of agency leads to greater performance than allowing experts to always exercise their own agency.

A central approach to AI-safety research has been to generate aligned AI systems: i.e. systems that do not deceive users and yield actions or recommendations that humans might judge as consistent with their intentions and goals. Here we argue that truthful AIs aligned solely to human intent are insufficient and that preservation of long-term agency of humans may be a more robust standard that may need to be separated and explicitly optimized for. We discuss the science of intent and control and how human intent can be manipulated and we provide a formal definition of agency-preserving AI-human interactions focusing on forward-looking explicit agency evaluations. Our work points to a novel pathway for human harm in AI-human interactions and proposes solutions to this challenge.

Learning an effective policy to control high-dimensional, overactuated systems is a significant challenge for deep reinforcement learning algorithms. Such control scenarios are often observed in the neural control of vertebrate musculoskeletal systems. The study of these control mechanisms will provide insights into the control of high-dimensional, overactuated systems. The coordination of actuators, known as muscle synergies in neuromechanics, is considered a presumptive mechanism that simplifies the generation of motor commands. The dynamical structure of a system is the basis of its function, allowing us to derive a synergistic representation of actuators. Motivated by this theory, we propose the *Dynamical Synergistic Representation (DynSyn)* algorithm. DynSyn aims to generate synergistic representations from dynamical structures and perform task-specific, state-dependent adaptation to the representations to improve motor control. We demonstrate DynSyn's efficiency across various tasks involving different musculoskeletal models, achieving state-of-the-art sample efficiency and robustness compared to baseline algorithms. DynSyn generates interpretable synergistic representations that capture the essential features of dynamical structures and demonstrates generalizability across diverse motor tasks.

In this paper, we propose a novel approach to Bayesian experimental design for non-exchangeable data that formulates it as risk-sensitive policy optimization. We develop the Inside-Out SMC$^2$ algorithm, a nested sequential Monte Carlo technique to infer optimal designs, and embed it into a particle Markov chain Monte Carlo framework to perform gradient-based policy amortization. Our approach is distinct from other amortized experimental design techniques, as it does not rely on contrastive estimators. Numerical validation on a set of dynamical systems showcases the efficacy of our method in comparison to other state-of-the-art strategies.

Explainable Artificial Intelligence (XAI) is a young but very promising field of research. Unfortunately, the progress in this field is currently slowed down by divergent and incompatible goals. We separate various threads tangled within the area of XAI into two complementary cultures of human/value-oriented explanations (BLUE XAI) and model/validation-oriented explanations (RED XAI). This position paper argues that the area of RED XAI is currently under-explored, i.e., more methods for explainability are desperately needed to question models (e.g., extract knowledge from well-performing models as well as spotting and fixing bugs in faulty models), and the area of RED XAI hides great opportunities and potential for important research necessary to ensure the safety of AI systems. We conclude this paper by presenting promising challenges in this area.

This paper studies uncertainty set estimation for unknown linear systems. Uncertainty sets are crucial for the quality of robust control since they directly influence the conservativeness of the control design. Departing from the confidence region analysis of least squares estimation, this paper focuses on set membership estimation (SME). Though good numerical performances have attracted applications of SME in the control literature, the non-asymptotic convergence rate of SME for linear systems remains an open question. This paper provides the first convergence rate bounds for SME and discusses variations of SME under relaxed assumptions. We also provide numerical results demonstrating SME's practical promise.

Trustworthy ML systems should not only return accurate predictions, but also a reliable representation of their uncertainty. Bayesian methods are commonly used to quantify both aleatoric and epistemic uncertainty, but alternative approaches, such as evidential deep learning methods, have become popular in recent years. The latter group of methods in essence extends empirical risk minimization (ERM) for predicting second-order probability distributions over outcomes, from which measures of epistemic (and aleatoric) uncertainty can be extracted. This paper presents novel theoretical insights of evidential deep learning, highlighting the difficulties in optimizing second-order loss functions and interpreting the resulting epistemic uncertainty measures. With a systematic setup that covers a wide range of approaches for classification, regression and counts, it provides novel insights into issues of identifiability and convergence in second-order loss minimization, and the relative (rather than absolute) nature of epistemic uncertainty measures.

Monotonicity constraints are powerful regularizers in statistical modelling. They can support fairness in computer-aided decision making and increase plausibility in data-driven scientific models. The seminal min-max (MM) neural network architecture ensures monotonicity, but often gets stuck in undesired local optima during training because of partial derivatives being zero when computing extrema. We propose a simple modification of the MM network using strictly-increasing smooth minimum and maximum functions that alleviates this problem. The resulting smooth min-max (SMM) network module inherits the asymptotic approximation properties from the MM architecture. It can be used within larger deep learning systems trained end-to-end. The SMM module is conceptually simple and computationally less demanding than state-of-the-art neural networks for monotonic modelling. Our experiments show that this does not come with a loss in generalization performance compared to alternative neural and non-neural approaches.

In this paper, we introduce a new class of score-based generative models (SGMs) designed to handle high-cardinality data distributions by leveraging concepts from mean-field theory. We present mean-field chaos diffusion models (MF-CDMs), which address the curse of dimensionality inherent in high-cardinality data by utilizing the propagation of chaos property of interacting particles. By treating high-cardinality data as a large stochastic system of interacting particles, we develop a novel score-matching method for infinite-dimensional chaotic particle systems and propose an approximation scheme that employs a subdivision strategy for efficient training. Our theoretical and empirical results demonstrate the scalability and effectiveness of MF-CDMs for managing large high-cardinality data structures, such as 3D point clouds.

During the last few years, the field of dynamical systems has been developing innovative tools to study the asymptotic behavior of different optimizers in the context of neural networks. In this work, we redefine an extensively studied optimizer, employing classical techniques from hyperbolic geometry. This new definition is linked to a non-linear differential equation as a continuous limit. Additionally, by utilizing Lyapunov stability concepts, we analyze the asymptotic behavior of its critical points.

We study the infinite-horizon distributionally robust (DR) control of linear systems with quadratic costs, where disturbances have unknown, possibly time-correlated distribution within a Wasserstein-2 ambiguity set. We aim to minimize the worst-case expected regret—the excess cost of a causal policy compared to a non-causal one with access to future disturbance. Though the optimal policy lacks a finite-order state-space realization (i.e., it is non-rational), it can be characterized by a finite-dimensional parameter. Leveraging this, we develop an efficient frequency-domain algorithm to compute this optimal control policy and present a convex optimization method to construct a near-optimal state-space controller that approximates the optimal non-rational controller in the $\mathit{H}_\infty$-norm. This approach avoids solving a computationally expensive semi-definite program (SDP) that scales with the time horizon in the finite-horizon setting.

With increased power and prevalence of AI systems, it is ever more critical that AI systems are designed to serve *all*, i.e., people with diverse values and perspectives. However, aligning models to serve *pluralistic* human values remains an open research question. In this piece, we propose a roadmap to pluralistic alignment, specifically using large language models as a test bed. We identify and formalize three possible ways to define and operationalize pluralism in AI systems: 1) *Overton pluralistic* models that present a spectrum of reasonable responses; 2) *Steerably pluralistic* models that can steer to reflect certain perspectives; and 3) *Distributionally pluralistic* models that are well-calibrated to a given population in distribution. We also formalize and discuss three possible classes of *pluralistic benchmarks*: 1) *Multi-objective* benchmarks, 2) *Trade-off steerable* benchmarks that incentivize models to steer to arbitrary trade-offs, and 3) *Jury-pluralistic* benchmarks that explicitly model diverse human ratings. We use this framework to argue that current alignment techniques may be fundamentally limited for pluralistic AI; indeed, we highlight empirical evidence, both from our own experiments and from other work, that standard alignment procedures might *reduce* distributional pluralism in models, motivating the need for further research on pluralistic alignment.

In-memory computing (IMC) has emerged as a promising solution to address both computation and data-movement challenges, by performing computation on data in-place directly in the memory array. IMC typically relies on analog operation, which makes analog-to-digital converters (ADCs) necessary, for converting results back to the digital domain. However, ADCs maintain computational efficiency by having limited precision, leading to substantial quantization errors in compute outputs. This work proposes RAOQ (Reshape and Adapt for Output Quantization) to overcome this issue, which comprises two classes of mechanisms including: 1) mitigating ADC quantization error by adjusting the statistics of activations and weights, through an activation-shifting approach (A-shift) and a weight reshaping technique (W-reshape); 2) adapting AI models to better tolerate ADC quantization through a bit augmentation method (BitAug), complemented by the introduction of ADC-LoRA, a low-rank approximation technique, to reduce the training overhead. RAOQ demonstrates consistently high performance across different scales and domains of neural network models for computer vision and natural language processing (NLP) tasks at various bit precisions, achieving state-of-the-art results with practical IMC implementations.

We study the problem of forecasting the evolution of a function of the state (observable) of a discrete ergodic dynamical system over multiple time steps. The elegant theory of Koopman and transfer operators can be used to evolve any such function forward in time. However, their estimators are usually unreliable in long-term forecasting. We show how classical techniques of eigenvalue deflation from operator theory and feature centering from statistics can be exploited to enhance standard estimators. We develop a novel technique to derive high probability bounds on powers of empirical estimators. Our approach, rooted in the stability _theory of non-normal operators_, allows us to establish uniform in time bounds for the forecasting error, which hold even on _infinite time horizons_. We further show that our approach can be seamlessly employed to forecast future state distributions from an initial one, with provably uniform error bounds. Numerical experiments illustrate the advantages of our approach in practice.

Augmenting large language models (LLMs) to understand audio – including non-speech sounds and non-verbal speech – is critically important for diverse real-world applications of LLMs. In this paper, we propose Audio Flamingo, a novel audio language model with 1) strong audio understanding abilities, 2) the ability to quickly adapt to unseen tasks via in-context learning and retrieval, and 3) strong multi-turn dialogue abilities. We introduce a series of training techniques, architecture design, and data strategies to enhance our model with these abilities. Extensive evaluations across various audio understanding tasks confirm the efficacy of our method, setting new state-of-the-art benchmarks. Our demo website is https://audioflamingo.github.io/ and the code is open-sourced at https://github.com/NVIDIA/audio-flamingo.

State-of-the-art neurosymbolic learning systems use probabilistic reasoning to guide neural networks towards predictions that conform to logical constraints. Many such systems assume that the probabilities of the considered symbols are conditionally independent given the input to simplify learning and reasoning. We study and criticise this assumption, highlighting how it can hinder optimisation and prevent uncertainty quantification. We prove that loss functions bias conditionally independent neural networks to become overconfident in their predictions. As a result, they are unable to represent uncertainty over multiple valid options. Furthermore, we prove that the minima of such loss functions are usually highly disconnected and non-convex, and thus difficult to optimise. Our theoretical analysis gives the foundation for replacing the conditional independence assumption and designing more expressive neurosymbolic probabilistic models.

In the context of proxy modeling for process systems, traditional data-driven deep learning approaches frequently encounter significant challenges, such as substantial training costs induced by large amounts of data, and limited generalization capabilities. As a promising alternative, physics-aware models incorporate partial physics knowledge to ameliorate these challenges. Although demonstrating efficacy, they fall short in terms of exploration depth and universality. To address these shortcomings, we introduce a **p**hysics-**a**ware **p**roxy **m**odel (**PAPM**) that fully incorporates partial prior physics of process systems, which includes multiple input conditions and the general form of conservation relations, resulting in better out-of-sample generalization. Additionally, PAPM contains a holistic temporal-spatial stepping module for flexible adaptation across various process systems. Through systematic comparisons with state-of-the-art pure data-driven and physics-aware models across five two-dimensional benchmarks in nine generalization tasks, PAPM notably achieves an average performance improvement of 6.7%, while requiring fewer FLOPs, and just 1% of the parameters compared to the prior leading method.

In dynamical systems reconstruction (DSR) we seek to infer from time series measurements a generative model of the underlying dynamical process. This is a prime objective in any scientific discipline, where we are particularly interested in parsimonious models with a low parameter load. A common strategy here is parameter pruning, removing all parameters with small weights. However, here we find this strategy does not work for DSR, where even low magnitude parameters can contribute considerably to the system dynamics. On the other hand, it is well known that many natural systems which generate complex dynamics, like the brain or ecological networks, have a sparse topology with comparatively few links. Inspired by this, we show that *geometric pruning*, where in contrast to magnitude-based pruning weights with a low contribution to an attractor's geometrical structure are removed, indeed manages to reduce parameter load substantially without significantly hampering DSR quality. We further find that the networks resulting from geometric pruning have a specific type of topology, and that this topology, and not the magnitude of weights, is what is most crucial to performance. We provide an algorithm that automatically generates such topologies which can be used as priors for generative modeling of dynamical systems by RNNs, and compare it to other well studied topologies like small-world or scale-free networks.