Brandon Amos

Aram-Alexandre Pooladian, Heli Ben-Hamu, Carles Domingo-Enrich et al. · meta-ai

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

Heli Ben-Hamu, Samuel Cohen, Joey Bose et al. · meta-ai

Continuous Normalizing Flows (CNFs) are a class of generative models that transform a prior distribution to a model distribution by solving an ordinary differential equation (ODE). We propose to train CNFs on manifolds by minimizing probability path divergence (PPD), a novel family of divergences between the probability density path generated by the CNF and a target probability density path. PPD is formulated using a logarithmic mass conservation formula which is a linear first order partial differential equation relating the log target probabilities and the CNF's defining vector field. PPD has several key benefits over existing methods: it sidesteps the need to solve an ODE per iteration, readily applies to manifold data, scales to high dimensions, and is compatible with a large family of target paths interpolating pure noise and data in finite time. Theoretically, PPD is shown to bound classical probability divergences. Empirically, we show that CNFs learned by minimizing PPD achieve state-of-the-art results in likelihoods and sample quality on existing low-dimensional manifold benchmarks, and is the first example of a generative model to scale to moderately high dimensional manifolds.

Luis Pineda, Taosha Fan, Maurizio Monge et al.

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and vision. Existing DNLS implementations are application specific and do not always incorporate many ingredients important for efficiency. Theseus is application-agnostic, as we illustrate with several example applications that are built using the same underlying differentiable components, such as second-order optimizers, standard costs functions, and Lie groups. For efficiency, Theseus incorporates support for sparse solvers, automatic vectorization, batching, GPU acceleration, and gradient computation with implicit differentiation and direct loss minimization. We do extensive performance evaluation in a set of applications, demonstrating significant efficiency gains and better scalability when these features are incorporated. Project page: https://sites.google.com/view/theseus-ai

Eugene Vinitsky, Nathan Lichtlé, Xiaomeng Yang et al.

We introduce Nocturne, a new 2D driving simulator for investigating multi-agent coordination under partial observability. The focus of Nocturne is to enable research into inference and theory of mind in real-world multi-agent settings without the computational overhead of computer vision and feature extraction from images. Agents in this simulator only observe an obstructed view of the scene, mimicking human visual sensing constraints. Unlike existing benchmarks that are bottlenecked by rendering human-like observations directly using a camera input, Nocturne uses efficient intersection methods to compute a vectorized set of visible features in a C++ back-end, allowing the simulator to run at over 2000 steps-per-second. Using open-source trajectory and map data, we construct a simulator to load and replay arbitrary trajectories and scenes from real-world driving data. Using this environment, we benchmark reinforcement-learning and imitation-learning agents and demonstrate that the agents are quite far from human-level coordination ability and deviate significantly from the expert trajectories.

Brandon Amos

This paper focuses on computing the convex conjugate (also known as the Legendre-Fenchel conjugate or c-transform) that appears in Euclidean Wasserstein-2 optimal transport. This conjugation is considered difficult to compute and in practice, methods are limited by not being able to exactly conjugate the dual potentials in continuous space. To overcome this, the computation of the conjugate can be approximated with amortized optimization, which learns a model to predict the conjugate. I show that combining amortized approximations to the conjugate with a solver for fine-tuning significantly improves the quality of transport maps learned for the Wasserstein-2 benchmark by Korotin et al. (2021a) and is able to model many 2-dimensional couplings and flows considered in the literature. All baselines, methods, and solvers are publicly available at http://github.com/facebookresearch/w2ot.

Brandon Amos, Samuel Cohen, Giulia Luise et al.

We study the use of amortized optimization to predict optimal transport (OT) maps from the input measures, which we call Meta OT. This helps repeatedly solve similar OT problems between different measures by leveraging the knowledge and information present from past problems to rapidly predict and solve new problems. Otherwise, standard methods ignore the knowledge of the past solutions and suboptimally re-solve each problem from scratch. We instantiate Meta OT models in discrete and continuous settings between grayscale images, spherical data, classification labels, and color palettes and use them to improve the computational time of standard OT solvers. Our source code is available at http://github.com/facebookresearch/meta-ot

Rajiv Sambharya, Georgina Hall, Brandon Amos et al. · princeton

We introduce a machine-learning framework to warm-start fixed-point optimization algorithms. Our architecture consists of a neural network mapping problem parameters to warm starts, followed by a predefined number of fixed-point iterations. We propose two loss functions designed to either minimize the fixed-point residual or the distance to a ground truth solution. In this way, the neural network predicts warm starts with the end-to-end goal of minimizing the downstream loss. An important feature of our architecture is its flexibility, in that it can predict a warm start for fixed-point algorithms run for any number of steps, without being limited to the number of steps it has been trained on. We provide PAC-Bayes generalization bounds on unseen data for common classes of fixed-point operators: contractive, linearly convergent, and averaged. Applying this framework to well-known applications in control, statistics, and signal processing, we observe a significant reduction in the number of iterations and solution time required to solve these problems, through learned warm starts.

Lazar Atanackovic, Xi Zhang, Brandon Amos et al.

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depend on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrate along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions, unlike previously proposed methods. We demonstrate the ability of MFM to improve the prediction of individual treatment responses on a large-scale multi-patient single-cell drug screen dataset.

Qinqing Zheng, Mikael Henaff, Brandon Amos et al.

Natural agents can effectively learn from multiple data sources that differ in size, quality, and types of measurements. We study this heterogeneity in the context of offline reinforcement learning (RL) by introducing a new, practically motivated semi-supervised setting. Here, an agent has access to two sets of trajectories: labelled trajectories containing state, action and reward triplets at every timestep, along with unlabelled trajectories that contain only state and reward information. For this setting, we develop and study a simple meta-algorithmic pipeline that learns an inverse dynamics model on the labelled data to obtain proxy-labels for the unlabelled data, followed by the use of any offline RL algorithm on the true and proxy-labelled trajectories. Empirically, we find this simple pipeline to be highly successful -- on several D4RL benchmarks~\cite{fu2020d4rl}, certain offline RL algorithms can match the performance of variants trained on a fully labelled dataset even when we label only 10\% of trajectories which are highly suboptimal. To strengthen our understanding, we perform a large-scale controlled empirical study investigating the interplay of data-centric properties of the labelled and unlabelled datasets, with algorithmic design choices (e.g., choice of inverse dynamics, offline RL algorithm) to identify general trends and best practices for training RL agents on semi-supervised offline datasets.

Arman Zharmagambetov, Brandon Amos, Aaron Ferber et al.

Recent works in learning-integrated optimization have shown promise in settings where the optimization problem is only partially observed or where general-purpose optimizers perform poorly without expert tuning. By learning an optimizer $\mathbf{g}$ to tackle these challenging problems with $f$ as the objective, the optimization process can be substantially accelerated by leveraging past experience. The optimizer can be trained with supervision from known optimal solutions or implicitly by optimizing the compound function $f\circ \mathbf{g}$. The implicit approach may not require optimal solutions as labels and is capable of handling problem uncertainty; however, it is slow to train and deploy due to frequent calls to optimizer $\mathbf{g}$ during both training and testing. The training is further challenged by sparse gradients of $\mathbf{g}$, especially for combinatorial solvers. To address these challenges, we propose using a smooth and learnable Landscape Surrogate $M$ as a replacement for $f\circ \mathbf{g}$. This surrogate, learnable by neural networks, can be computed faster than the solver $\mathbf{g}$, provides dense and smooth gradients during training, can generalize to unseen optimization problems, and is efficiently learned via alternating optimization. We test our approach on both synthetic problems, including shortest path and multidimensional knapsack, and real-world problems such as portfolio optimization, achieving comparable or superior objective values compared to state-of-the-art baselines while reducing the number of calls to $\mathbf{g}$. Notably, our approach outperforms existing methods for computationally expensive high-dimensional problems.

Ricky T. Q. Chen, Brandon Amos, Maximilian Nickel

Mapping between discrete and continuous distributions is a difficult task and many have had to resort to heuristical approaches. We propose a tessellation-based approach that directly learns quantization boundaries in a continuous space, complete with exact likelihood evaluations. This is done through constructing normalizing flows on convex polytopes parameterized using a simple homeomorphism with an efficient log determinant Jacobian. We explore this approach in two application settings, mapping from discrete to continuous and vice versa. Firstly, a Voronoi dequantization allows automatically learning quantization boundaries in a multidimensional space. The location of boundaries and distances between regions can encode useful structural relations between the quantized discrete values. Secondly, a Voronoi mixture model has near-constant computation cost for likelihood evaluation regardless of the number of mixture components. Empirically, we show improvements over existing methods across a range of structured data modalities.

Mattia Silvestri, Senne Berden, Jayanta Mandi et al.

Many real-world optimization problems contain parameters that are unknown before deployment time, either due to stochasticity or to lack of information (e.g., demand or travel times in delivery problems). A common strategy in such cases is to estimate said parameters via machine learning (ML) models trained to minimize the prediction error, which however is not necessarily aligned with the downstream task-level error. The decision-focused learning (DFL) paradigm overcomes this limitation by training to directly minimize a task loss, e.g. regret. Since the latter has non-informative gradients for combinatorial problems, state-of-the-art DFL methods introduce surrogates and approximations that enable training. But these methods exploit specific assumptions about the problem structures (e.g., convex or linear problems, unknown parameters only in the objective function). We propose an alternative method that makes no such assumptions, it combines stochastic smoothing with score function gradient estimation which works on any task loss. This opens up the use of DFL methods to nonlinear objectives, uncertain parameters in the problem constraints, and even two-stage stochastic optimization. Experiments show that it typically requires more epochs, but that it is on par with specialized methods and performs especially well for the difficult case of problems with uncertainty in the constraints, in terms of solution quality, scalability, or both.

Sanae Lotfi, Yilun Kuang, Brandon Amos et al.

Large language models (LLMs) with billions of parameters excel at predicting the next token in a sequence. Recent work computes non-vacuous compression-based generalization bounds for LLMs, but these bounds are vacuous for large models at the billion-parameter scale. Moreover, these bounds are obtained through restrictive compression techniques, bounding compressed models that generate low-quality text. Additionally, the tightness of these existing bounds depends on the number of IID documents in a training set rather than the much larger number of non-IID constituent tokens, leaving untapped potential for tighter bounds. In this work, we instead use properties of martingales to derive generalization bounds that benefit from the vast number of tokens in LLM training sets. Since a dataset contains far more tokens than documents, our generalization bounds not only tolerate but actually benefit from far less restrictive compression schemes. With Monarch matrices, Kronecker factorizations, and post-training quantization, we achieve non-vacuous generalization bounds for LLMs as large as LLaMA2-70B. Unlike previous approaches, our work achieves the first non-vacuous bounds for models that are deployed in practice and generate high-quality text.

Anselm Paulus, Arman Zharmagambetov, Chuan Guo et al.

Large Language Models (LLMs) are vulnerable to jailbreaking attacks that lead to generation of inappropriate or harmful content. Manual red-teaming requires a time-consuming search for adversarial prompts, whereas automatic adversarial prompt generation often leads to semantically meaningless attacks that do not scale well. In this paper, we present a novel method that uses another LLM, called AdvPrompter, to generate human-readable adversarial prompts in seconds. AdvPrompter, which is trained using an alternating optimization algorithm, generates suffixes that veil the input instruction without changing its meaning, such that the TargetLLM is lured to give a harmful response. Experimental results on popular open source TargetLLMs show highly competitive results on the AdvBench and HarmBench datasets, that also transfer to closed-source black-box LLMs. We also show that training on adversarial suffixes generated by AdvPrompter is a promising strategy for improving the robustness of LLMs to jailbreaking attacks.

Aaron Havens, Benjamin Kurt Miller, Bing Yan et al. · baidu, cmu

We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the first on-policy approach that allows significantly more gradient updates than the number of energy evaluations and model samples, allowing us to scale to much larger problem settings than previously explored by similar methods. Our framework is theoretically grounded in stochastic optimal control and shares the same theoretical guarantees as Adjoint Matching, being able to train without the need for corrective measures that push samples towards the target distribution. We show how to incorporate key symmetries, as well as periodic boundary conditions, for modeling molecules in both cartesian and torsional coordinates. We demonstrate the effectiveness of our approach through extensive experiments on classical energy functions, and further scale up to neural network-based energy models where we perform amortized conformer generation across many molecular systems. To encourage further research in developing highly scalable sampling methods, we plan to open source these challenging benchmarks, where successful methods can directly impact progress in computational chemistry.

Carles Domingo-Enrich, Jiequn Han, Brandon Amos et al.

Stochastic optimal control, which has the goal of driving the behavior of noisy systems, is broadly applicable in science, engineering and artificial intelligence. Our work introduces Stochastic Optimal Control Matching (SOCM), a novel Iterative Diffusion Optimization (IDO) technique for stochastic optimal control that stems from the same philosophy as the conditional score matching loss for diffusion models. That is, the control is learned via a least squares problem by trying to fit a matching vector field. The training loss, which is closely connected to the cross-entropy loss, is optimized with respect to both the control function and a family of reparameterization matrices which appear in the matching vector field. The optimization with respect to the reparameterization matrices aims at minimizing the variance of the matching vector field. Experimentally, our algorithm achieves lower error than all the existing IDO techniques for stochastic optimal control for three out of four control problems, in some cases by an order of magnitude. The key idea underlying SOCM is the path-wise reparameterization trick, a novel technique that may be of independent interest. Code at https://github.com/facebookresearch/SOC-matching

Dishank Bansal, Ricky T. Q. Chen, Mustafa Mukadam et al.

Deep learning models are often deployed in downstream tasks that the training procedure may not be aware of. For example, models solely trained to achieve accurate predictions may struggle to perform well on downstream tasks because seemingly small prediction errors may incur drastic task errors. The standard end-to-end learning approach is to make the task loss differentiable or to introduce a differentiable surrogate that the model can be trained on. In these settings, the task loss needs to be carefully balanced with the prediction loss because they may have conflicting objectives. We propose take the task loss signal one level deeper than the parameters of the model and use it to learn the parameters of the loss function the model is trained on, which can be done by learning a metric in the prediction space. This approach does not alter the optimal prediction model itself, but rather changes the model learning to emphasize the information important for the downstream task. This enables us to achieve the best of both worlds: a prediction model trained in the original prediction space while also being valuable for the desired downstream task. We validate our approach through experiments conducted in two main settings: 1) decision-focused model learning scenarios involving portfolio optimization and budget allocation, and 2) reinforcement learning in noisy environments with distracting states. The source code to reproduce our experiments is available at https://github.com/facebookresearch/taskmet

Doron Haviv, Aram-Alexandre Pooladian, Dana Pe'er et al.

Generative modeling typically concerns transporting a single source distribution to a target distribution via simple probability flows. However, in fields like computer graphics and single-cell genomics, samples themselves can be viewed as distributions, where standard flow matching ignores their inherent geometry. We propose Wasserstein flow matching (WFM), which lifts flow matching onto families of distributions using the Wasserstein geometry. Notably, WFM is the first algorithm capable of generating distributions in high dimensions, whether represented analytically (as Gaussians) or empirically (as point-clouds). Our theoretical analysis establishes that Wasserstein geodesics constitute proper conditional flows over the space of distributions, making for a valid FM objective. Our algorithm leverages optimal transport theory and the attention mechanism, demonstrating versatility across computational regimes: exploiting closed-form optimal transport paths for Gaussian families, while using entropic estimates on point-clouds for general distributions. WFM successfully generates both 2D & 3D shapes and high-dimensional cellular microenvironments from spatial transcriptomics data. Code is available at https://github.com/DoronHav/WassersteinFlowMatching .

Anselm Paulus, Ilia Kulikov, Brandon Amos et al.

Ensuring the safety of language models (LMs) while maintaining their usefulness remains a critical challenge in AI alignment. Current approaches rely on sequential adversarial training: generating adversarial prompts and fine-tuning LMs to defend against them. We introduce a different paradigm: framing safety alignment as a non-zero-sum game between an Attacker LM and a Defender LM trained jointly via online reinforcement learning. Each LM continuously adapts to the other's evolving strategies, driving iterative improvement. Our method uses a preference-based reward signal derived from pairwise comparisons instead of point-wise scores, providing more robust supervision and potentially reducing reward hacking. Our RL recipe, AdvGame, shifts the Pareto frontier of safety and utility, yielding a Defender LM that is simultaneously more helpful and more resilient to adversarial attacks. In addition, the resulting Attacker LM converges into a strong, general-purpose red-teaming agent that can be directly deployed to probe arbitrary target models.

Lily Hong Zhang, Smitha Milli, Karen Jusko et al.

How can large language models (LLMs) serve users with varying preferences that may conflict across cultural, political, or other dimensions? To advance this challenge, this paper establishes four key results. First, we demonstrate, through a large-scale multilingual human study with representative samples from five countries (N=15,000), that humans exhibit significantly more variation in preferences than the responses of 21 state-of-the-art LLMs. Second, we show that existing methods for preference dataset collection are insufficient for learning the diversity of human preferences even along two of the most salient dimensions of variability in global values, due to the underlying homogeneity of candidate responses. Third, we argue that this motivates the need for negatively-correlated sampling when generating candidate sets, and we show that simple prompt-based techniques for doing so significantly enhance the performance of alignment methods in learning heterogeneous preferences. Fourth, based on this novel candidate sampling approach, we collect and open-source Community Alignment, the largest and most representative multilingual and multi-turn preference dataset to date, featuring almost 200,000 comparisons from annotators spanning five countries. We hope that the Community Alignment dataset will be a valuable resource for improving the effectiveness of LLMs for a diverse global population.

Qinqing Zheng, Mikael Henaff, Amy Zhang et al.

Automatically synthesizing dense rewards from natural language descriptions is a promising paradigm in reinforcement learning (RL), with applications to sparse reward problems, open-ended exploration, and hierarchical skill design. Recent works have made promising steps by exploiting the prior knowledge of large language models (LLMs). However, these approaches suffer from important limitations: they are either not scalable to problems requiring billions of environment samples, due to requiring LLM annotations for each observation, or they require a diverse offline dataset, which may not exist or be impossible to collect. In this work, we address these limitations through a combination of algorithmic and systems-level contributions. We propose ONI, a distributed architecture that simultaneously learns an RL policy and an intrinsic reward function using LLM feedback. Our approach annotates the agent's collected experience via an asynchronous LLM server, which is then distilled into an intrinsic reward model. We explore a range of algorithmic choices for reward modeling with varying complexity, including hashing, classification, and ranking models. Our approach achieves state-of-the-art performance across a range of challenging tasks from the NetHack Learning Environment, while removing the need for large offline datasets required by prior work. We make our code available at https://github.com/facebookresearch/oni.

Zihao Zhao, Kai-Chia Mo, Shing-Hei Ho et al.

Differentiable optimization layers enable learning systems to make decisions by solving embedded optimization problems. However, computing gradients via implicit differentiation requires solving a linear system with Hessian terms, which is both compute- and memory-intensive. To address this challenge, we propose a novel algorithm that computes the gradient using only first-order information. The key insight is to rewrite the differentiable optimization as a bilevel optimization problem and leverage recent advances in bilevel methods. Specifically, we introduce an active-set Lagrangian hypergradient oracle that avoids Hessian evaluations and provides finite-time, non-asymptotic approximation guarantees. We show that an approximate hypergradient can be computed using only first-order information in $\tilde{\oo}(1)$ time, leading to an overall complexity of $\tilde{\oo}(δ^{-1}ε^{-3})$ for constrained bilevel optimization, which matches the best known rate for non-smooth non-convex optimization. Furthermore, we release an open-source Python library that can be easily adapted from existing solvers. Our code is available here: https://github.com/guaguakai/FFOLayer.

Buu Phan, Brandon Amos, Itai Gat et al. · meta-ai

Tokenization is associated with many poorly understood shortcomings in language models (LMs), yet remains an important component for long sequence scaling purposes. This work studies how tokenization impacts model performance by analyzing and comparing the stochastic behavior of tokenized models with their byte-level, or token-free, counterparts. We discover that, even when the two models are statistically equivalent, their predictive distributions over the next byte can be substantially different, a phenomenon we term as ``tokenization bias''. To fully characterize this phenomenon, we introduce the Byte-Token Representation Lemma, a framework that establishes a mapping between the learned token distribution and its equivalent byte-level distribution. From this result, we develop a next-byte sampling algorithm that eliminates tokenization bias without requiring further training or optimization. In other words, this enables zero-shot conversion of tokenized LMs into statistically equivalent token-free ones. We demonstrate its broad applicability with two use cases: fill-in-the-middle (FIM) tasks and model ensembles. In FIM tasks where input prompts may terminate mid-token, leading to out-of-distribution tokenization, our method mitigates performance degradation and achieves 18% improvement in FIM coding benchmarks, while consistently outperforming the standard token healing fix. For model ensembles where each model employs a distinct vocabulary, our approach enables seamless integration, resulting in improved performance up to 3.7% over individual models across various standard baselines in reasoning, knowledge, and coding. Code is available at: https://github.com/facebookresearch/Exact-Byte-Level-Probabilities-from-Tokenized-LMs

Wei-Di Chang, Mikael Henaff, Brandon Amos et al.

This paper investigates search in model-based reinforcement learning (RL). Conventional wisdom holds that long-term predictions and compounding errors are the primary obstacles for model-based RL. We challenge this view, showing that search is not a plug-and-play replacement for a learned policy. Surprisingly, we find that search can harm performance even when the model is highly accurate. Instead, we show that mitigating distribution shift matters more than improving model or value function accuracy. Building on this insight, we identify key techniques for enabling effective search, achieving state-of-the-art performance across multiple popular benchmark domains.

Ori Press, Brandon Amos, Haoyu Zhao et al. · princeton, uw

Despite progress in language model (LM) capabilities, evaluations have thus far focused on models' performance on tasks that humans have previously solved, including in programming (Jimenez et al., 2024) and mathematics (Glazer et al., 2024). We therefore propose testing models' ability to design and implement algorithms in an open-ended benchmark: We task LMs with writing code that efficiently solves computationally challenging problems in computer science, physics, and mathematics. Our AlgoTune benchmark consists of 154 coding tasks collected from domain experts and a framework for validating and timing LM-synthesized solution code, which is compared to reference implementations from popular open-source packages. In addition, we develop a baseline LM agent, AlgoTuner, and evaluate its performance across a suite of frontier models. AlgoTuner uses a simple, budgeted loop that edits code, compiles and runs it, profiles performance, verifies correctness on tests, and selects the fastest valid version. AlgoTuner achieves an average 1.72x speedup against our reference solvers, which use libraries such as SciPy, sk-learn and CVXPY. However, we find that current models fail to discover algorithmic innovations, instead preferring surface-level optimizations. We hope that AlgoTune catalyzes the development of LM agents exhibiting creative problem solving beyond state-of-the-art human performance.

Aram-Alexandre Pooladian, Carles Domingo-Enrich, Ricky T. Q. Chen et al.

We investigate the optimal transport problem between probability measures when the underlying cost function is understood to satisfy a least action principle, also known as a Lagrangian cost. These generalizations are useful when connecting observations from a physical system where the transport dynamics are influenced by the geometry of the system, such as obstacles (e.g., incorporating barrier functions in the Lagrangian), and allows practitioners to incorporate a priori knowledge of the underlying system such as non-Euclidean geometries (e.g., paths must be circular). Our contributions are of computational interest, where we demonstrate the ability to efficiently compute geodesics and amortize spline-based paths, which has not been done before, even in low dimensional problems. Unlike prior work, we also output the resulting Lagrangian optimal transport map without requiring an ODE solver. We demonstrate the effectiveness of our formulation on low-dimensional examples taken from prior work. The source code to reproduce our experiments is available at https://github.com/facebookresearch/lagrangian-ot.

Brandon Amos

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

Shobha Venkataraman, Brandon Amos

Fixed-point iterations are at the heart of numerical computing and are often a computational bottleneck in real-time applications that typically need a fast solution of moderate accuracy. We present neural fixed-point acceleration which combines ideas from meta-learning and classical acceleration methods to automatically learn to accelerate fixed-point problems that are drawn from a distribution. We apply our framework to SCS, the state-of-the-art solver for convex cone programming, and design models and loss functions to overcome the challenges of learning over unrolled optimization and acceleration instabilities. Our work brings neural acceleration into any optimization problem expressible with CVXPY. The source code behind this paper is available at https://github.com/facebookresearch/neural-scs

Samuel Cohen, Brandon Amos, Yaron Lipman

Modeling distributions on Riemannian manifolds is a crucial component in understanding non-Euclidean data that arises, e.g., in physics and geology. The budding approaches in this space are limited by representational and computational tradeoffs. We propose and study a class of flows that uses convex potentials from Riemannian optimal transport. These are universal and can model distributions on any compact Riemannian manifold without requiring domain knowledge of the manifold to be integrated into the architecture. We demonstrate that these flows can model standard distributions on spheres, and tori, on synthetic and geological data. Our source code is freely available online at http://github.com/facebookresearch/rcpm

Luis Pineda, Brandon Amos, Amy Zhang et al.

Model-based reinforcement learning is a compelling framework for data-efficient learning of agents that interact with the world. This family of algorithms has many subcomponents that need to be carefully selected and tuned. As a result the entry-bar for researchers to approach the field and to deploy it in real-world tasks can be daunting. In this paper, we present MBRL-Lib -- a machine learning library for model-based reinforcement learning in continuous state-action spaces based on PyTorch. MBRL-Lib is designed as a platform for both researchers, to easily develop, debug and compare new algorithms, and non-expert user, to lower the entry-bar of deploying state-of-the-art algorithms. MBRL-Lib is open-source at https://github.com/facebookresearch/mbrl-lib.

Da JU, Song Jiang, Andrew Cohen et al.

Travel planning is a challenging and time-consuming task that aims to find an itinerary which satisfies multiple, interdependent constraints regarding flights, accommodations, attractions, and other travel arrangements. In this paper, we propose To the Globe (TTG), a real-time demo system that takes natural language requests from users, translates it to symbolic form via a fine-tuned Large Language Model, and produces optimal travel itineraries with Mixed Integer Linear Programming solvers. The overall system takes ~5 seconds to reply to the user request with guaranteed itineraries. To train TTG, we develop a synthetic data pipeline that generates user requests, flight and hotel information in symbolic form without human annotations, based on the statistics of real-world datasets, and fine-tune an LLM to translate NL user requests to their symbolic form, which is sent to the symbolic solver to compute optimal itineraries. Our NL-symbolic translation achieves ~91% exact match in a backtranslation metric (i.e., whether the estimated symbolic form of generated natural language matches the groundtruth), and its returned itineraries have a ratio of 0.979 compared to the optimal cost of the ground truth user request. When evaluated by users, TTG achieves consistently high Net Promoter Scores (NPS) of 35-40% on generated itinerary.

Sicheng Zhu, Brandon Amos, Yuandong Tian et al.

Many jailbreak attacks on large language models (LLMs) rely on a common objective: making the model respond with the prefix "Sure, here is (harmful request)". While straightforward, this objective has two limitations: limited control over model behaviors, often resulting in incomplete or unrealistic responses, and a rigid format that hinders optimization. To address these limitations, we introduce AdvPrefix, a new prefix-forcing objective that enables more nuanced control over model behavior while being easy to optimize. Our objective leverages model-dependent prefixes, automatically selected based on two criteria: high prefilling attack success rates and low negative log-likelihood. It can further simplify optimization by using multiple prefixes for a single user request. AdvPrefix can integrate seamlessly into existing jailbreak attacks to improve their performance for free. For example, simply replacing GCG attack's target prefixes with ours on Llama-3 improves nuanced attack success rates from 14% to 80%, suggesting that current alignment struggles to generalize to unseen prefixes. Our work demonstrates the importance of jailbreak objectives in achieving nuanced jailbreaks.

Sangyun Lee, Brandon Amos, Giulia Fanti

Today's generative models thrive with large amounts of supervised data and informative reward functions characterizing the quality of the generation. They work under the assumptions that the supervised data provides knowledge to pre-train the model, and the reward function provides dense information about how to further improve the generation quality and correctness. However, in the hardest instances of important problems, two problems arise: (1) the base generative model attains a near-zero reward signal, and (2) calls to the reward oracle are expensive. This setting poses a fundamentally different learning challenge than standard reward-based post-training. To address this, we propose BaNEL (Bayesian Negative Evidence Learning), an algorithm that post-trains the model using failed attempts only, while minimizing the number of reward evaluations (NREs). Our method is based on the idea that the problem of learning regularities underlying failures can be cast as another, in-loop generative modeling problem. We then leverage this model to assess whether new data resembles previously seen failures and steer the generation away from them. We show that BaNEL can improve model performance without observing a single successful sample on several sparse-reward tasks, outperforming existing novelty-bonus approaches by up to several orders of magnitude in success rate, while using fewer reward evaluations.

Jack Richter-Powell, Jonathan Lorraine, Brandon Amos

The gradients of convex functions are expressive models of non-trivial vector fields. For example, Brenier's theorem yields that the optimal transport map between any two measures on Euclidean space under the squared distance is realized as a convex gradient, which is a key insight used in recent generative flow models. In this paper, we study how to model convex gradients by integrating a Jacobian-vector product parameterized by a neural network, which we call the Input Convex Gradient Network (ICGN). We theoretically study ICGNs and compare them to taking the gradient of an Input-Convex Neural Network (ICNN), empirically demonstrating that a single layer ICGN can fit a toy example better than a single layer ICNN. Lastly, we explore extensions to deeper networks and connections to constructions from Riemannian geometry.

Arnaud Fickinger, Samuel Cohen, Stuart Russell et al.

Cross-domain imitation learning studies how to leverage expert demonstrations of one agent to train an imitation agent with a different embodiment or morphology. Comparing trajectories and stationary distributions between the expert and imitation agents is challenging because they live on different systems that may not even have the same dimensionality. We propose Gromov-Wasserstein Imitation Learning (GWIL), a method for cross-domain imitation that uses the Gromov-Wasserstein distance to align and compare states between the different spaces of the agents. Our theory formally characterizes the scenarios where GWIL preserves optimality, revealing its possibilities and limitations. We demonstrate the effectiveness of GWIL in non-trivial continuous control domains ranging from simple rigid transformation of the expert domain to arbitrary transformation of the state-action space.

Arnaud Fickinger, Hengyuan Hu, Brandon Amos et al.

Lookahead search has been a critical component of recent AI successes, such as in the games of chess, go, and poker. However, the search methods used in these games, and in many other settings, are tabular. Tabular search methods do not scale well with the size of the search space, and this problem is exacerbated by stochasticity and partial observability. In this work we replace tabular search with online model-based fine-tuning of a policy neural network via reinforcement learning, and show that this approach outperforms state-of-the-art search algorithms in benchmark settings. In particular, we use our search algorithm to achieve a new state-of-the-art result in self-play Hanabi, and show the generality of our algorithm by also showing that it outperforms tabular search in the Atari game Ms. Pacman.

Anselm Paulus, Michal Rolínek, Vít Musil et al.

Bridging logical and algorithmic reasoning with modern machine learning techniques is a fundamental challenge with potentially transformative impact. On the algorithmic side, many NP-hard problems can be expressed as integer programs, in which the constraints play the role of their "combinatorial specification." In this work, we aim to integrate integer programming solvers into neural network architectures as layers capable of learning both the cost terms and the constraints. The resulting end-to-end trainable architectures jointly extract features from raw data and solve a suitable (learned) combinatorial problem with state-of-the-art integer programming solvers. We demonstrate the potential of such layers with an extensive performance analysis on synthetic data and with a demonstration on a competitive computer vision keypoint matching benchmark.

Samuel Cohen, Alexander Terenin, Yannik Pitcan et al.

Multi-marginal optimal transport enables one to compare multiple probability measures, which increasingly finds application in multi-task learning problems. One practical limitation of multi-marginal transport is computational scalability in the number of measures, samples and dimensionality. In this work, we propose a multi-marginal optimal transport paradigm based on random one-dimensional projections, whose (generalized) distance we term the sliced multi-marginal Wasserstein distance. To construct this distance, we introduce a characterization of the one-dimensional multi-marginal Kantorovich problem and use it to highlight a number of properties of the sliced multi-marginal Wasserstein distance. In particular, we show that (i) the sliced multi-marginal Wasserstein distance is a (generalized) metric that induces the same topology as the standard Wasserstein distance, (ii) it admits a dimension-free sample complexity, (iii) it is tightly connected with the problem of barycentric averaging under the sliced-Wasserstein metric. We conclude by illustrating the sliced multi-marginal Wasserstein on multi-task density estimation and multi-dynamics reinforcement learning problems.

Ricky T. Q. Chen, Brandon Amos, Maximilian Nickel

We propose a new class of parameterizations for spatio-temporal point processes which leverage Neural ODEs as a computational method and enable flexible, high-fidelity models of discrete events that are localized in continuous time and space. Central to our approach is a combination of continuous-time neural networks with two novel neural architectures, i.e., Jump and Attentive Continuous-time Normalizing Flows. This approach allows us to learn complex distributions for both the spatial and temporal domain and to condition non-trivially on the observed event history. We validate our models on data sets from a wide variety of contexts such as seismology, epidemiology, urban mobility, and neuroscience.

Ricky T. Q. Chen, Brandon Amos, Maximilian Nickel

The existing Neural ODE formulation relies on an explicit knowledge of the termination time. We extend Neural ODEs to implicitly defined termination criteria modeled by neural event functions, which can be chained together and differentiated through. Neural Event ODEs are capable of modeling discrete and instantaneous changes in a continuous-time system, without prior knowledge of when these changes should occur or how many such changes should exist. We test our approach in modeling hybrid discrete- and continuous- systems such as switching dynamical systems and collision in multi-body systems, and we propose simulation-based training of point processes with applications in discrete control.

Brandon Amos, Samuel Stanton, Denis Yarats et al.

For over a decade, model-based reinforcement learning has been seen as a way to leverage control-based domain knowledge to improve the sample-efficiency of reinforcement learning agents. While model-based agents are conceptually appealing, their policies tend to lag behind those of model-free agents in terms of final reward, especially in non-trivial environments. In response, researchers have proposed model-based agents with increasingly complex components, from ensembles of probabilistic dynamics models, to heuristics for mitigating model error. In a reversal of this trend, we show that simple model-based agents can be derived from existing ideas that not only match, but outperform state-of-the-art model-free agents in terms of both sample-efficiency and final reward. We find that a model-free soft value estimate for policy evaluation and a model-based stochastic value gradient for policy improvement is an effective combination, achieving state-of-the-art results on a high-dimensional humanoid control task, which most model-based agents are unable to solve. Our findings suggest that model-based policy evaluation deserves closer attention.

Samuel Cohen, Giulia Luise, Alexander Terenin et al.

Dynamic time warping (DTW) is a useful method for aligning, comparing and combining time series, but it requires them to live in comparable spaces. In this work, we consider a setting in which time series live on different spaces without a sensible ground metric, causing DTW to become ill-defined. To alleviate this, we propose Gromov dynamic time warping (GDTW), a distance between time series on potentially incomparable spaces that avoids the comparability requirement by instead considering intra-relational geometry. We demonstrate its effectiveness at aligning, combining and comparing time series living on incomparable spaces. We further propose a smoothed version of GDTW as a differentiable loss and assess its properties in a variety of settings, including barycentric averaging, generative modeling and imitation learning.

Nathan Lambert, Brandon Amos, Omry Yadan et al.

Model-based reinforcement learning (MBRL) has been shown to be a powerful framework for data-efficiently learning control of continuous tasks. Recent work in MBRL has mostly focused on using more advanced function approximators and planning schemes, with little development of the general framework. In this paper, we identify a fundamental issue of the standard MBRL framework -- what we call the objective mismatch issue. Objective mismatch arises when one objective is optimized in the hope that a second, often uncorrelated, metric will also be optimized. In the context of MBRL, we characterize the objective mismatch between training the forward dynamics model w.r.t.~the likelihood of the one-step ahead prediction, and the overall goal of improving performance on a downstream control task. For example, this issue can emerge with the realization that dynamics models effective for a specific task do not necessarily need to be globally accurate, and vice versa globally accurate models might not be sufficiently accurate locally to obtain good control performance on a specific task. In our experiments, we study this objective mismatch issue and demonstrate that the likelihood of one-step ahead predictions is not always correlated with control performance. This observation highlights a critical limitation in the MBRL framework which will require further research to be fully understood and addressed. We propose an initial method to mitigate the mismatch issue by re-weighting dynamics model training. Building on it, we conclude with a discussion about other potential directions of research for addressing this issue.

Akshay Agrawal, Brandon Amos, Shane Barratt et al.

Recent work has shown how to embed differentiable optimization problems (that is, problems whose solutions can be backpropagated through) as layers within deep learning architectures. This method provides a useful inductive bias for certain problems, but existing software for differentiable optimization layers is rigid and difficult to apply to new settings. In this paper, we propose an approach to differentiating through disciplined convex programs, a subclass of convex optimization problems used by domain-specific languages (DSLs) for convex optimization. We introduce disciplined parametrized programming, a subset of disciplined convex programming, and we show that every disciplined parametrized program can be represented as the composition of an affine map from parameters to problem data, a solver, and an affine map from the solver's solution to a solution of the original problem (a new form we refer to as affine-solver-affine form). We then demonstrate how to efficiently differentiate through each of these components, allowing for end-to-end analytical differentiation through the entire convex program. We implement our methodology in version 1.1 of CVXPY, a popular Python-embedded DSL for convex optimization, and additionally implement differentiable layers for disciplined convex programs in PyTorch and TensorFlow 2.0. Our implementation significantly lowers the barrier to using convex optimization problems in differentiable programs. We present applications in linear machine learning models and in stochastic control, and we show that our layer is competitive (in execution time) compared to specialized differentiable solvers from past work.

Edward Grefenstette, Brandon Amos, Denis Yarats et al.

Many (but not all) approaches self-qualifying as "meta-learning" in deep learning and reinforcement learning fit a common pattern of approximating the solution to a nested optimization problem. In this paper, we give a formalization of this shared pattern, which we call GIMLI, prove its general requirements, and derive a general-purpose algorithm for implementing similar approaches. Based on this analysis and algorithm, we describe a library of our design, higher, which we share with the community to assist and enable future research into these kinds of meta-learning approaches. We end the paper by showcasing the practical applications of this framework and library through illustrative experiments and ablation studies which they facilitate.

Denis Yarats, Amy Zhang, Ilya Kostrikov et al.

Training an agent to solve control tasks directly from high-dimensional images with model-free reinforcement learning (RL) has proven difficult. A promising approach is to learn a latent representation together with the control policy. However, fitting a high-capacity encoder using a scarce reward signal is sample inefficient and leads to poor performance. Prior work has shown that auxiliary losses, such as image reconstruction, can aid efficient representation learning. However, incorporating reconstruction loss into an off-policy learning algorithm often leads to training instability. We explore the underlying reasons and identify variational autoencoders, used by previous investigations, as the cause of the divergence. Following these findings, we propose effective techniques to improve training stability. This results in a simple approach capable of matching state-of-the-art model-free and model-based algorithms on MuJoCo control tasks. Furthermore, our approach demonstrates robustness to observational noise, surpassing existing approaches in this setting. Code, results, and videos are anonymously available at https://sites.google.com/view/sac-ae/home.

Brandon Amos, Denis Yarats

We study the cross-entropy method (CEM) for the non-convex optimization of a continuous and parameterized objective function and introduce a differentiable variant that enables us to differentiate the output of CEM with respect to the objective function's parameters. In the machine learning setting this brings CEM inside of the end-to-end learning pipeline where this has otherwise been impossible. We show applications in a synthetic energy-based structured prediction task and in non-convex continuous control. In the control setting we show how to embed optimal action sequences into a lower-dimensional space. DCEM enables us to fine-tune CEM-based controllers with policy optimization.

Brandon Amos, Vladlen Koltun, J. Zico Kolter

We propose the Limited Multi-Label (LML) projection layer as a new primitive operation for end-to-end learning systems. The LML layer provides a probabilistic way of modeling multi-label predictions limited to having exactly k labels. We derive efficient forward and backward passes for this layer and show how the layer can be used to optimize the top-k recall for multi-label tasks with incomplete label information. We evaluate LML layers on top-k CIFAR-100 classification and scene graph generation. We show that LML layers add a negligible amount of computational overhead, strictly improve the model's representational capacity, and improve accuracy. We also revisit the truncated top-k entropy method as a competitive baseline for top-k classification.

Brandon Amos, Ivan Dario Jimenez Rodriguez, Jacob Sacks et al.

We present foundations for using Model Predictive Control (MPC) as a differentiable policy class for reinforcement learning in continuous state and action spaces. This provides one way of leveraging and combining the advantages of model-free and model-based approaches. Specifically, we differentiate through MPC by using the KKT conditions of the convex approximation at a fixed point of the controller. Using this strategy, we are able to learn the cost and dynamics of a controller via end-to-end learning. Our experiments focus on imitation learning in the pendulum and cartpole domains, where we learn the cost and dynamics terms of an MPC policy class. We show that our MPC policies are significantly more data-efficient than a generic neural network and that our method is superior to traditional system identification in a setting where the expert is unrealizable.

Noam Brown, Tuomas Sandholm, Brandon Amos

A fundamental challenge in imperfect-information games is that states do not have well-defined values. As a result, depth-limited search algorithms used in single-agent settings and perfect-information games do not apply. This paper introduces a principled way to conduct depth-limited solving in imperfect-information games by allowing the opponent to choose among a number of strategies for the remainder of the game at the depth limit. Each one of these strategies results in a different set of values for leaf nodes. This forces an agent to be robust to the different strategies an opponent may employ. We demonstrate the effectiveness of this approach by building a master-level heads-up no-limit Texas hold'em poker AI that defeats two prior top agents using only a 4-core CPU and 16 GB of memory. Developing such a powerful agent would have previously required a supercomputer.