A General Framework for Inference-time Scaling and Steering of Diffusion Models

Diffusion models produce impressive results in modalities ranging from images and video to protein design and text. However, generating samples with user-specified properties remains a challenge. Recent research proposes fine-tuning models to maximize rewards that capture desired properties, but these methods require expensive training and are prone to mode collapse. In this work, we propose Feynman Kac (FK) steering, an inference-time framework for steering diffusion models with reward functions. FK steering works by sampling a system of multiple interacting diffusion processes, called particles, and resampling particles at intermediate steps based on scores computed using functions called potentials. Potentials are defined using rewards for intermediate states and are selected such that a high value indicates that the particle will yield a high-reward sample. We explore various choices of potentials, intermediate rewards, and samplers. We evaluate FK steering on text-to-image and text diffusion models. For steering text-to-image models with a human preference reward, we find that FK steering a 0.8B parameter model outperforms a 2.6B parameter fine-tuned model on prompt fidelity, with faster sampling and no training. For steering text diffusion models with rewards for text quality and specific text attributes, we find that FK steering generates lower perplexity, more linguistically acceptable outputs and enables gradient-free control of attributes like toxicity. Our results demonstrate that inference-time scaling and steering of diffusion models, even with off-the-shelf rewards, can provide significant sample quality gains and controllability benefits. Code is available at https://github.com/zacharyhorvitz/Fk-Diffusion-Steering .

Explanations that reveal all through the definition of encoding

Feature attributions attempt to highlight what inputs drive predictive power. Good attributions or explanations are thus those that produce inputs that retain this predictive power; accordingly, evaluations of explanations score their quality of prediction. However, evaluations produce scores better than what appears possible from the values in the explanation for a class of explanations, called encoding explanations. Probing for encoding remains a challenge because there is no general characterization of what gives the extra predictive power. We develop a definition of encoding that identifies this extra predictive power via conditional dependence and show that the definition fits existing examples of encoding. This definition implies, in contrast to encoding explanations, that non-encoding explanations contain all the informative inputs used to produce the explanation, giving them a "what you see is what you get" property, which makes them transparent and simple to use. Next, we prove that existing scores (ROAR, FRESH, EVAL-X) do not rank non-encoding explanations above encoding ones, and develop STRIPE-X which ranks them correctly. After empirically demonstrating the theoretical insights, we use STRIPE-X to uncover encoding in LLM-generated explanations for predicting the sentiment in movie reviews.

Contrasting with Symile: Simple Model-Agnostic Representation Learning for Unlimited Modalities

Contrastive learning methods, such as CLIP, leverage naturally paired data-for example, images and their corresponding text captions-to learn general representations that transfer efficiently to downstream tasks. While such approaches are generally applied to two modalities, domains such as robotics, healthcare, and video need to support many types of data at once. We show that the pairwise application of CLIP fails to capture joint information between modalities, thereby limiting the quality of the learned representations. To address this issue, we present Symile, a simple contrastive learning approach that captures higher-order information between any number of modalities. Symile provides a flexible, architecture-agnostic objective for learning modality-specific representations. To develop Symile's objective, we derive a lower bound on total correlation, and show that Symile representations for any set of modalities form a sufficient statistic for predicting the remaining modalities. Symile outperforms pairwise CLIP, even with modalities missing in the data, on cross-modal classification and retrieval across several experiments including on an original multilingual dataset of 33M image, text and audio samples and a clinical dataset of chest X-rays, electrocardiograms, and laboratory measurements. All datasets and code used in this work are publicly available at https://github.com/rajesh-lab/symile.

What's the score? Automated Denoising Score Matching for Nonlinear Diffusions

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. This limits 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.

Towards Minimal Targeted Updates of Language Models with Targeted Negative Training

Generative models of language exhibit impressive capabilities but still place non-negligible probability mass over undesirable outputs. In this work, we address the task of updating a model to avoid unwanted outputs while minimally changing model behavior otherwise, a challenge we refer to as a minimal targeted update. We first formalize the notion of a minimal targeted update and propose a method to achieve such updates using negative examples from a model's generations. Our proposed Targeted Negative Training (TNT) results in updates that keep the new distribution close to the original, unlike existing losses for negative signal which push down probability but do not control what the updated distribution will be. In experiments, we demonstrate that TNT yields a better trade-off between reducing unwanted behavior and maintaining model generation behavior than baselines, paving the way towards a modeling paradigm based on iterative training updates that constrain models from generating undesirable outputs while preserving their impressive capabilities.

Adaptive Sampling of k-Space in Magnetic Resonance for Rapid Pathology Prediction

Magnetic Resonance (MR) imaging, despite its proven diagnostic utility, remains an inaccessible imaging modality for disease surveillance at the population level. A major factor rendering MR inaccessible is lengthy scan times. An MR scanner collects measurements associated with the underlying anatomy in the Fourier space, also known as the k-space. Creating a high-fidelity image requires collecting large quantities of such measurements, increasing the scan time. Traditionally to accelerate an MR scan, image reconstruction from under-sampled k-space data is the method of choice. However, recent works show the feasibility of bypassing image reconstruction and directly learning to detect disease directly from a sparser learned subset of the k-space measurements. In this work, we propose Adaptive Sampling for MR (ASMR), a sampling method that learns an adaptive policy to sequentially select k-space samples to optimize for target disease detection. On 6 out of 8 pathology classification tasks spanning the Knee, Brain, and Prostate MR scans, ASMR reaches within 2% of the performance of a fully sampled classifier while using only 8% of the k-space, as well as outperforming prior state-of-the-art work in k-space sampling such as EMRT, LOUPE, and DPS.

Preference Learning Algorithms Do Not Learn Preference Rankings

Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to assign higher likelihoods to more preferred outputs than less preferred outputs, measured via $\textit{ranking accuracy}$. Surprisingly, we find that most state-of-the-art preference-tuned models achieve a ranking accuracy of less than 60% on common preference datasets. We furthermore derive the $\textit{idealized ranking accuracy}$ that a preference-tuned LLM would achieve if it optimized the DPO or RLHF objective perfectly. We demonstrate that existing models exhibit a significant $\textit{alignment gap}$ -- $\textit{i.e.}$, a gap between the observed and idealized ranking accuracies. We attribute this discrepancy to the DPO objective, which is empirically and theoretically ill-suited to fix even mild ranking errors in the reference model, and derive a simple and efficient formula for quantifying the difficulty of learning a given preference datapoint. Finally, we demonstrate that ranking accuracy strongly correlates with the empirically popular win rate metric when the model is close to the reference model used in the objective, shedding further light on the differences between on-policy (e.g., RLHF) and off-policy (e.g., DPO) preference learning algorithms.

On the Challenges and Opportunities in Generative AI

The field of deep generative modeling has grown rapidly and consistently over the years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models do not sufficiently address several fundamental issues that hinder their widespread adoption across domains. In this work, we aim to identify key unresolved challenges in modern generative AI paradigms that should be tackled to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with valuable insights for exploring fruitful research directions, thereby fostering the development of more robust and accessible generative AI solutions.

Robust Anomaly Detection for Particle Physics Using Multi-Background Representation Learning

Anomaly, or out-of-distribution, detection is a promising tool for aiding discoveries of new particles or processes in particle physics. In this work, we identify and address two overlooked opportunities to improve anomaly detection for high-energy physics. First, rather than train a generative model on the single most dominant background process, we build detection algorithms using representation learning from multiple background types, thus taking advantage of more information to improve estimation of what is relevant for detection. Second, we generalize decorrelation to the multi-background setting, thus directly enforcing a more complete definition of robustness for anomaly detection. We demonstrate the benefit of the proposed robust multi-background anomaly detection algorithms on a high-dimensional dataset of particle decays at the Large Hadron Collider.

When accurate prediction models yield harmful self-fulfilling prophecies

Prediction models are popular in medical research and practice. By predicting an outcome of interest for specific patients, these models may help inform difficult treatment decisions, and are often hailed as the poster children for personalized, data-driven healthcare. We show however, that using prediction models for decision making can lead to harmful decisions, even when the predictions exhibit good discrimination after deployment. These models are harmful self-fulfilling prophecies: their deployment harms a group of patients but the worse outcome of these patients does not invalidate the predictive power of the model. Our main result is a formal characterization of a set of such prediction models. Next we show that models that are well calibrated before and after deployment are useless for decision making as they made no change in the data distribution. These results point to the need to revise standard practices for validation, deployment and evaluation of prediction models that are used in medical decisions.