38 accepted papers
The Schrödinger bridge problem is concerned with finding a stochastic dynamical system bridging two marginal distributions that minimises a certain transportation cost. This problem, which represents a generalisation of optimal transport to the stochastic case, has received attention due to its…
A major bottleneck in scientific discovery consists of narrowing an exponentially large set of objects, such as proteins or molecules, to a small set of promising candidates with desirable properties. While this process can rely on expert knowledge, recent methods leverage reinforcement learning (RL…
Learning the dynamics of a process given sampled observations at several time points is an important but difficult task in many scientific applications. When no ground-truth trajectories are available, but one has only snapshots of data taken at discrete time steps, the problem of modelling the dyna…
As trajectories sampled by policies used by reinforcement learning (RL) and generative flow networks (GFlowNets) grow longer, credit assignment and exploration become more challenging, and the long planning horizon hinders mode discovery and generalization. The challenge is particularly pronounced i…
Amortized inference is the task of training a parametric model, such as a neural network, to approximate a distribution with a given unnormalized density where exact sampling is intractable. When sampling is modeled as a sequential decision-making process, reinforcement learning (RL) methods, such a…
Is there a way to design powerful AI systems based on machine learning methods that would satisfy probabilistic safety guarantees? With the long-term goal of obtaining a probabilistic guarantee that would apply in every context, we consider estimating a context-dependent bound on the probability of
Diffusion and flow matching policies have recently demonstrated remarkable performance in robotic applications by accurately capturing multimodal robot trajectory distributions. However, their computationally expensive inference, due to the numerical integration of an ODE or SDE, limits their applic…
Red-teaming, or identifying prompts that elicit harmful responses, is a critical step in ensuring the safe and responsible deployment of large language models (LLMs). Developing effective protection against many modes of attack prompts requires discovering diverse attacks. Automated red-teaming typi…
In-context learning (ICL) adapts LLMs by providing demonstrations without fine-tuning the model parameters; however, it is very sensitive to the choice of in-context demonstrations, and processing many demonstrations can be computationally demanding. We propose Mixtures of In-Context Learners (MoICL…
Any well-behaved generative model over a variable $\mathbf{x}$ can be expressed as a deterministic transformation of an exogenous (‘*outsourced'*) Gaussian noise variable $\mathbf{z}$: $\mathbf{x}=f_\theta(\mathbf{z})$. In such a model (*eg*, a VAE, GAN, or continuous-time flow-based model), sampli…
We propose a likelihood-free method for comparing two distributions given samples from each, with the goal of assessing the quality of generative models. The proposed approach, PQMass, provides a statistically rigorous method for assessing the performance of a single generative model or the comparis…
Diffusion models have emerged as effective distribution estimators in vision, language, and reinforcement learning, but their use as priors in downstream tasks poses an intractable posterior inference problem. This paper studies *amortized* sampling of the posterior over data, $\mathbf{x}\sim p^{\rm…
Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions. This limits tractable querying of this knowledge to start-to-end autoregressive sampling. However, many tasks of interest---including sequence continuation, infilling…
We present a new algorithm for amortized inference in sparse probabilistic graphical models (PGMs), which we call $\Delta$-amortized inference ($\Delta$-AI). Our approach is based on the observation that when the sampling of variables in a PGM is seen as a sequence of actions taken by an agent, spar…
We consider the problem of sampling from a discrete and structured distribution as a sequential decision problem, where the objective is to find a stochastic policy such that objects are sampled at the end of this sequential process proportionally to some predefined reward. While we could use maximu…
Generative flow networks (GFlowNets) are sequential sampling models trained to match a given distribution. GFlowNets have been successfully applied to various structured object generation tasks, sampling a diverse set of high-reward objects quickly. We propose expected flow networks (EFlowNets), whi…
We study the problem of training diffusion models to sample from a distribution with a given unnormalized density or energy function. We benchmark several diffusion-structured inference methods, including simulation-based variational approaches and off-policy methods (continuous generative flow netw…
We present a performant, general-purpose gradient-guided nested sampling (GGNS) algorithm, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested sampling, and parallelization. This unique combination allows GGNS to scale…
Efficiently generating statistically independent samples from an unnormalized probability distribution, such as equilibrium samples of many-body systems, is a foundational problem in science. In this paper, we propose Iterated Denoising Energy Matching (iDEM), an iterative algorithm that uses a nove…
Phylogenetics is a branch of computational biology that studies the evolutionary relationships among biological entities. Its long history and numerous applications notwithstanding, inference of phylogenetic trees from sequence data remains challenging: the high complexity of tree space poses a sign…
We present simulation-free score and flow matching ([SF]$^2$M), a simulation-free objective for inferring stochastic dynamics given unpaired samples drawn from arbitrary source and target distributions. Our method generalizes both the score-matching loss used in the training of diffusion models and…
Generative flow networks (GFlowNets) are amortized variational inference algorithms that are trained to sample from unnormalized target distributions over compositional objects. A key limitation of GFlowNets until this time has been that they are restricted to discrete spaces. We present a theory fo…
Generative Flow Networks or GFlowNets are related to Monte-Carlo Markov chain methods (as they sample from a distribution specified by an energy function), reinforcement learning (as they learn a policy to sample composed objects through a sequence of steps), generative models (as they learn to repr…
Latent variable models (LVMs) with discrete compositional latents are an important but challenging setting due to a combinatorially large number of possible configurations of the latents. A key tradeoff in modeling the posteriors over latents is between expressivity and tractable optimization. For a…
This paper builds bridges between two families of probabilistic algorithms: (hierarchical) variational inference (VI), which is typically used to model distributions over continuous spaces, and generative flow networks (GFlowNets), which have been used for distributions over discrete structures such…
Bayesian inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo D…
Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph (DAG) of a Bayesian Network, given a dataset of observations. Ba…
Generative flow networks (GFlowNets) are a family of algorithms for training a sequential sampler of discrete objects under an unnormalized target density and have been successfully used for various probabilistic modeling tasks. Existing training objectives for GFlowNets are either local to states o…
Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On th…
Large language models (LLMs) have a substantial capacity for high-level analogical reasoning: reproducing patterns in linear text that occur in their training data (zero-shot evaluation) or in the provided context (few-shot in-context learning). However, recent studies show that even the more advanc…
Long-range semantic coherence remains a challenge in automatic language generation and understanding. We demonstrate that large language models have insufficiently learned the effect of distant words on next-token prediction. We present coherence boosting, an inference procedure that increases a LM’…
We consider the problem of inferring high-dimensional data $x$ in a model that consists of a prior $p(x)$ and an auxiliary differentiable constraint $c(x,y)$ on $x$ given some additional information $y$. In this paper, the prior is an independently trained denoising diffusion generative model. The a…
We present energy-based generative flow networks (EB-GFN), a novel probabilistic modeling algorithm for high-dimensional discrete data. Building upon the theory of generative flow networks (GFlowNets), we model the generation process by a stochastic data construction policy and thus amortize expensi…
We propose a method for jointly inferring labels across a collection of data samples, where each sample consists of an observation and a prior belief about the label. By implicitly assuming the existence of a generative model for which a differentiable predictor is the posterior, we derive a trainin…
Generative flow networks (GFlowNets) are a method for learning a stochastic policy for generating compositional objects, such as graphs or strings, from a given unnormalized density by sequences of actions, where many possible action sequences may lead to the same object. We find previously proposed…
Human innovation in language, such as inventing new words, is a challenge for pretrained language models. We assess the ability of one large model, GPT-3, to process new words and decide on their meaning. We create a set of nonce words and prompt GPT-3 to generate their dictionary definitions. We fi…
As neural language models approach human performance on NLP benchmark tasks, their advances are widely seen as evidence of an increasingly complex understanding of syntax. This view rests upon a hypothesis that has not yet been empirically tested: that word order encodes meaning essential to perform…
We show that simple patch-based models, such as epitomes (Jojic et al., 2003), can have superior performance to the current state of the art in semantic segmentation and label super-resolution, which uses deep convolutional neural networks. We derive a new training algorithm for epitomes which allow…