Pratik Chaudhari

Rongguang Wang, Pratik Chaudhari, Christos Davatzikos

Despite the great promise that machine learning has offered in many fields of medicine, it has also raised concerns about potential biases and poor generalization across genders, age distributions, races and ethnicities, hospitals, and data acquisition equipment and protocols. In the current study, and in the context of three brain diseases, we provide evidence which suggests that when properly trained, machine learning models can generalize well across diverse conditions and do not necessarily suffer from bias. Specifically, by using multi-study magnetic resonance imaging consortia for diagnosing Alzheimer's disease, schizophrenia, and autism spectrum disorder, we find that well-trained models have a high area-under-the-curve (AUC) on subjects across different subgroups pertaining to attributes such as gender, age, racial groups, and different clinical studies and are unbiased under multiple fairness metrics such as demographic parity difference, equalized odds difference, equal opportunity difference etc. We find that models that incorporate multi-source data from demographic, clinical, genetic factors and cognitive scores are also unbiased. These models have better predictive AUC across subgroups than those trained only with imaging features but there are also situations when these additional features do not help.

Yao Liu, Pratik Chaudhari, Rasool Fakoor · stanford

The main challenge of offline reinforcement learning, where data is limited, arises from a sequence of counterfactual reasoning dilemmas within the realm of potential actions: What if we were to choose a different course of action? These circumstances frequently give rise to extrapolation errors, which tend to accumulate exponentially with the problem horizon. Hence, it becomes crucial to acknowledge that not all decision steps are equally important to the final outcome, and to budget the number of counterfactual decisions a policy make in order to control the extrapolation. Contrary to existing approaches that use regularization on either the policy or value function, we propose an approach to explicitly bound the amount of out-of-distribution actions during training. Specifically, our method utilizes dynamic programming to decide where to extrapolate and where not to, with an upper bound on the decisions different from behavior policy. It balances between the potential for improvement from taking out-of-distribution actions and the risk of making errors due to extrapolation. Theoretically, we justify our method by the constrained optimality of the fixed point solution to our $Q$ updating rules. Empirically, we show that the overall performance of our method is better than the state-of-the-art offline RL methods on tasks in the widely-used D4RL benchmarks.

Ashwin De Silva, Rahul Ramesh, Carey E. Priebe et al.

We expect the generalization error to improve with more samples from a similar task, and to deteriorate with more samples from an out-of-distribution (OOD) task. In this work, we show a counter-intuitive phenomenon: the generalization error of a task can be a non-monotonic function of the number of OOD samples. As the number of OOD samples increases, the generalization error on the target task improves before deteriorating beyond a threshold. In other words, there is value in training on small amounts of OOD data. We use Fisher's Linear Discriminant on synthetic datasets and deep networks on computer vision benchmarks such as MNIST, CIFAR-10, CINIC-10, PACS and DomainNet to demonstrate and analyze this phenomenon. In the idealistic setting where we know which samples are OOD, we show that these non-monotonic trends can be exploited using an appropriately weighted objective of the target and OOD empirical risk. While its practical utility is limited, this does suggest that if we can detect OOD samples, then there may be ways to benefit from them. When we do not know which samples are OOD, we show how a number of go-to strategies such as data-augmentation, hyper-parameter optimization, and pre-training are not enough to ensure that the target generalization error does not deteriorate with the number of OOD samples in the dataset.

Ramya Muthukrishnan, Angelina Heyler, Keshava Katti et al.

In this study, we automate quantitative mammographic breast density estimation with neural networks and show that this tool is a strong use case for federated learning on multi-institutional datasets. Our dataset included bilateral CC-view and MLO-view mammographic images from two separate institutions. Two U-Nets were separately trained on algorithm-generated labels to perform segmentation of the breast and dense tissue from these images and subsequently calculate breast percent density (PD). The networks were trained with federated learning and compared to three non-federated baselines, one trained on each single-institution dataset and one trained on the aggregated multi-institution dataset. We demonstrate that training on multi-institution datasets is critical to algorithm generalizability. We further show that federated learning on multi-institutional datasets improves model generalization to unseen data at nearly the same level as centralized training on multi-institutional datasets, indicating that federated learning can be applied to our method to improve algorithm generalizability while maintaining patient privacy.

Rahul Ramesh, Jialin Mao, Itay Griniasty et al.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

Rasool Fakoor, Jonas Mueller, Zachary C. Lipton et al.

Real-world deployment of machine learning models is challenging because data evolves over time. While no model can work when data evolves in an arbitrary fashion, if there is some pattern to these changes, we might be able to design methods to address it. This paper addresses situations when data evolves gradually. We introduce a time-varying propensity score that can detect gradual shifts in the distribution of data which allows us to selectively sample past data to update the model -- not just similar data from the past like that of a standard propensity score but also data that evolved in a similar fashion in the past. The time-varying propensity score is quite general: we demonstrate different ways of implementing it and evaluate it on a variety of problems ranging from supervised learning (e.g., image classification problems) where data undergoes a sequence of gradual shifts, to reinforcement learning tasks (e.g., robotic manipulation and continuous control) where data shifts as the policy or the task changes.

Siming He, Yuezhan Tao, Igor Spasojevic et al.

Active perception approaches select future viewpoints by using some estimate of the information gain. An inaccurate estimate can be detrimental in critical situations, e.g., locating a person in distress. However the true information gained can only be calculated post hoc, i.e., after the observation is realized. We present an approach to estimate the discrepancy between the estimated information gain (which is the expectation over putative future observations while neglecting correlations among them) and the true information gain. The key idea is to analyze the mathematical relationship between active perception and the estimation error of the information gain in a game-theoretic setting. Using this, we develop an online estimation approach that achieves sub-linear regret (in the number of time-steps) for the estimation of the true information gain and reduces the sub-optimality of active perception systems. We demonstrate our approach for active perception using a comprehensive set of experiments on: (a) different types of environments, including a quadrotor in a photorealistic simulation, real-world robotic data, and real-world experiments with ground robots exploring indoor and outdoor scenes; (b) different types of robotic perception data; and (c) different map representations. On average, our approach reduces information gain estimation errors by 42%, increases the information gain by 7%, PSNR by 5%, and semantic accuracy (measured as the number of objects that are localized correctly) by 6%. In real-world experiments with a Jackal ground robot, our approach demonstrated complex trajectories to explore occluded regions.

Yansong Gao, Zhihong Pan, Xin Zhou et al.

Denoising diffusion probabilistic models (DDPMs) are a class of powerful generative models. The past few years have witnessed the great success of DDPMs in generating high-fidelity samples. A significant limitation of the DDPMs is the slow sampling procedure. DDPMs generally need hundreds or thousands of sequential function evaluations (steps) of neural networks to generate a sample. This paper aims to develop a fast sampling method for DDPMs requiring much fewer steps while retaining high sample quality. The inference process of DDPMs approximates solving the corresponding diffusion ordinary differential equations (diffusion ODEs) in the continuous limit. This work analyzes how the backward error affects the diffusion ODEs and the sample quality in DDPMs. We propose fast sampling through the \textbf{Restricting Backward Error schedule (RBE schedule)} based on dynamically moderating the long-time backward error. Our method accelerates DDPMs without any further training. Our experiments show that sampling with an RBE schedule generates high-quality samples within only 8 to 20 function evaluations on various benchmark datasets. We achieved 12.01 FID in 8 function evaluations on the ImageNet $128\times128$, and a $20\times$ speedup compared with previous baseline samplers.

Evangelos Sariyanidi, John D. Herrington, Lisa Yankowitz et al.

Measuring the statistical dependence between observed signals is a primary tool for scientific discovery. However, biological systems often exhibit complex non-linear interactions that currently cannot be captured without a priori knowledge or large datasets. We introduce a criterion for dependence, whereby two time series are deemed dependent if one can construct a classifier that distinguishes between temporally aligned vs. misaligned segments extracted from them. We show that this criterion, concurrence, is theoretically linked with dependence, and can become a standard approach for scientific analyses across disciplines, as it can expose relationships across a wide spectrum of signals (fMRI, physiological and behavioral data) without ad-hoc parameter tuning or large amounts of data.

Rahul Ramesh, Anthony Bisulco, Ronald W. DiTullio et al.

We show that many perception tasks, from visual recognition, semantic segmentation, optical flow, depth estimation to vocalization discrimination, are highly redundant functions of their input data. Images or spectrograms, projected into different subspaces, formed by orthogonal bases in pixel, Fourier or wavelet domains, can be used to solve these tasks remarkably well regardless of whether it is the top subspace where data varies the most, some intermediate subspace with moderate variability--or the bottom subspace where data varies the least. This phenomenon occurs because different subspaces have a large degree of redundant information relevant to the task.

Rohit Jena, Ganesh Subramanian Iyer, Siddharth Choudhary et al.

We propose SplatArmor, a novel approach for recovering detailed and animatable human models by `armoring' a parameterized body model with 3D Gaussians. Our approach represents the human as a set of 3D Gaussians within a canonical space, whose articulation is defined by extending the skinning of the underlying SMPL geometry to arbitrary locations in the canonical space. To account for pose-dependent effects, we introduce a SE(3) field, which allows us to capture both the location and anisotropy of the Gaussians. Furthermore, we propose the use of a neural color field to provide color regularization and 3D supervision for the precise positioning of these Gaussians. We show that Gaussian splatting provides an interesting alternative to neural rendering based methods by leverging a rasterization primitive without facing any of the non-differentiability and optimization challenges typically faced in such approaches. The rasterization paradigms allows us to leverage forward skinning, and does not suffer from the ambiguities associated with inverse skinning and warping. We show compelling results on the ZJU MoCap and People Snapshot datasets, which underscore the effectiveness of our method for controllable human synthesis.

Rohit Jena, Pratik Chaudhari, James Gee et al.

Human reconstruction and synthesis from monocular RGB videos is a challenging problem due to clothing, occlusion, texture discontinuities and sharpness, and framespecific pose changes. Many methods employ deferred rendering, NeRFs and implicit methods to represent clothed humans, on the premise that mesh-based representations cannot capture complex clothing and textures from RGB, silhouettes, and keypoints alone. We provide a counter viewpoint to this fundamental premise by optimizing a SMPL+D mesh and an efficient, multi-resolution texture representation using only RGB images, binary silhouettes and sparse 2D keypoints. Experimental results demonstrate that our approach is more capable of capturing geometric details compared to visual hull, mesh-based methods. We show competitive novel view synthesis and improvements in novel pose synthesis compared to NeRF-based methods, which introduce noticeable, unwanted artifacts. By restricting the solution space to the SMPL+D model combined with differentiable rendering, we obtain dramatic speedups in compute, training times (up to 24x) and inference times (up to 192x). Our method therefore can be used as is or as a fast initialization to NeRF-based methods.

Yan Sun, Pratik Chaudhari, Ian J. Barnett et al.

Recent advances in machine learning have significantly improved prediction accuracy in various applications. However, ensuring the calibration of probabilistic predictions remains a significant challenge. Despite efforts to enhance model calibration, the rigorous statistical evaluation of model calibration remains less explored. In this work, we develop confidence intervals the $\ell_2$ Expected Calibration Error (ECE). We consider top-1-to-$k$ calibration, which includes both the popular notion of confidence calibration as well as full calibration. For a debiased estimator of the ECE, we show asymptotic normality, but with different convergence rates and asymptotic variances for calibrated and miscalibrated models. We develop methods to construct asymptotically valid confidence intervals for the ECE, accounting for this behavior as well as non-negativity. Our theoretical findings are supported through extensive experiments, showing that our methods produce valid confidence intervals with shorter lengths compared to those obtained by resampling-based methods.

Junyao Shi, Rujia Yang, Kaitian Chao et al.

Today's best-explored routes towards generalist robots center on collecting ever larger "observations-in actions-out" robotics datasets to train large end-to-end models, copying a recipe that has worked for vision-language models (VLMs). We pursue a road less traveled: building generalist policies directly around VLMs by augmenting their general capabilities with specific robot capabilities encapsulated in a carefully curated set of perception, planning, and control modules. In Maestro, a VLM coding agent dynamically composes these modules into a programmatic policy for the current task and scenario. Maestro's architecture benefits from a streamlined closed-loop interface without many manually imposed structural constraints, and a comprehensive and diverse tool repertoire. As a result, it largely surpasses today's VLA models for zero-shot performance on challenging manipulation skills. Further, Maestro is easily extensible to incorporate new modules, easily editable to suit new embodiments such as a quadruped-mounted arm, and even easily adapts from minimal real-world experiences through local code edits.

Ashwin De Silva, Rahul Ramesh, Rubing Yang et al.

In real-world applications, the distribution of the data, and our goals, evolve over time. The prevailing theoretical framework for studying machine learning, namely probably approximately correct (PAC) learning, largely ignores time. As a consequence, existing strategies to address the dynamic nature of data and goals exhibit poor real-world performance. This paper develops a theoretical framework called "Prospective Learning" that is tailored for situations when the optimal hypothesis changes over time. In PAC learning, empirical risk minimization (ERM) is known to be consistent. We develop a learner called Prospective ERM, which returns a sequence of predictors that make predictions on future data. We prove that the risk of prospective ERM converges to the Bayes risk under certain assumptions on the stochastic process generating the data. Prospective ERM, roughly speaking, incorporates time as an input in addition to the data. We show that standard ERM as done in PAC learning, without incorporating time, can result in failure to learn when distributions are dynamic. Numerical experiments illustrate that prospective ERM can learn synthetic and visual recognition problems constructed from MNIST and CIFAR-10. Code at https://github.com/neurodata/prolearn.

Yuxin Bai, Cecelia Shuai, Ashwin De Silva et al.

In most real-world applications of artificial intelligence, the distributions of the data and the goals of the learners tend to change over time. The Probably Approximately Correct (PAC) learning framework, which underpins most machine learning algorithms, fails to account for dynamic data distributions and evolving objectives, often resulting in suboptimal performance. Prospective learning is a recently introduced mathematical framework that overcomes some of these limitations. We build on this framework to present preliminary results that improve the algorithm and numerical results, and extend prospective learning to sequential decision-making scenarios, specifically foraging. Code is available at: https://github.com/neurodata/prolearn2.

Christopher D. Hsu, Pratik Chaudhari

We study pursuit-evasion games in highly occluded urban environments, e.g. tall buildings in a city, where a scout (quadrotor) tracks multiple dynamic targets on the ground. We show that we can build a neural radiance field (NeRF) representation of the city -- online -- using RGB and depth images from different vantage points. This representation is used to calculate the information gain to both explore unknown parts of the city and track the targets -- thereby giving a completely first-principles approach to actively tracking dynamic targets. We demonstrate, using a custom-built simulator using Open Street Maps data of Philadelphia and New York City, that we can explore and locate 20 stationary targets within 300 steps. This is slower than a greedy baseline, which does not use active perception. But for dynamic targets that actively hide behind occlusions, we show that our approach maintains, at worst, a tracking error of 200m; the greedy baseline can have a tracking error as large as 600m. We observe a number of interesting properties in the scout's policies, e.g., it switches its attention to track a different target periodically, as the quality of the NeRF representation improves over time, the scout also becomes better in terms of target tracking. Code is available at https://github.com/grasp-lyrl/ActiveScout.

Yansong Gao, Rahul Ramesh, Pratik Chaudhari

What is the best way to exploit extra data -- be it unlabeled data from the same task, or labeled data from a related task -- to learn a given task? This paper formalizes the question using the theory of reference priors. Reference priors are objective, uninformative Bayesian priors that maximize the mutual information between the task and the weights of the model. Such priors enable the task to maximally affect the Bayesian posterior, e.g., reference priors depend upon the number of samples available for learning the task and for very small sample sizes, the prior puts more probability mass on low-complexity models in the hypothesis space. This paper presents the first demonstration of reference priors for medium-scale deep networks and image-based data. We develop generalizations of reference priors and demonstrate applications to two problems. First, by using unlabeled data to compute the reference prior, we develop new Bayesian semi-supervised learning methods that remain effective even with very few samples per class. Second, by using labeled data from the source task to compute the reference prior, we develop a new pretraining method for transfer learning that allows data from the target task to maximally affect the Bayesian posterior. Empirical validation of these methods is conducted on image classification datasets. Code is available at https://github.com/grasp-lyrl/deep_reference_priors.

Rahul Ramesh, Pratik Chaudhari

This paper argues that continual learning methods can benefit by splitting the capacity of the learner across multiple models. We use statistical learning theory and experimental analysis to show how multiple tasks can interact with each other in a non-trivial fashion when a single model is trained on them. The generalization error on a particular task can improve when it is trained with synergistic tasks, but can also deteriorate when trained with competing tasks. This theory motivates our method named Model Zoo which, inspired from the boosting literature, grows an ensemble of small models, each of which is trained during one episode of continual learning. We demonstrate that Model Zoo obtains large gains in accuracy on a variety of continual learning benchmark problems. Code is available at https://github.com/grasp-lyrl/modelzoo_continual.

Rasool Fakoor, Pratik Chaudhari, Alexander J. Smola

On-policy reinforcement learning (RL) algorithms have high sample complexity while off-policy algorithms are difficult to tune. Merging the two holds the promise to develop efficient algorithms that generalize across diverse environments. It is however challenging in practice to find suitable hyper-parameters that govern this trade off. This paper develops a simple algorithm named P3O that interleaves off-policy updates with on-policy updates. P3O uses the effective sample size between the behavior policy and the target policy to control how far they can be from each other and does not introduce any additional hyper-parameters. Extensive experiments on the Atari-2600 and MuJoCo benchmark suites show that this simple technique is effective in reducing the sample complexity of state-of-the-art algorithms. Code to reproduce experiments in this paper is at https://github.com/rasoolfa/P3O.

Ke Yang, Yao Liu, Sapana Chaudhary et al.

Autonomy via agents using large language models (LLMs) for personalized, standardized tasks boosts human efficiency. Automating web tasks (like booking hotels within a budget) is increasingly sought after. Fulfilling practical needs, the web agent also serves as an important proof-of-concept example for various agent grounding scenarios, with its success promising advancements in many future applications. Prior research often handcrafts web agent strategies (e.g., prompting templates, multi-agent systems, search methods, etc.) and the corresponding in-context examples, which may not generalize well across all real-world scenarios. On the other hand, there has been limited study on the misalignment between a web agent's observation/action representation and the pre-training data of the LLM it's based on. This discrepancy is especially notable when LLMs are primarily trained for language completion rather than tasks involving embodied navigation actions and symbolic web elements. Our study enhances an LLM-based web agent by simply refining its observation and action space to better align with the LLM's capabilities. This approach enables our base agent to significantly outperform previous methods on a wide variety of web tasks. Specifically, on WebArena, a benchmark featuring general-purpose web interaction tasks, our agent AgentOccam surpasses the previous state-of-the-art and concurrent work by 9.8 (+29.4%) and 5.9 (+15.8%) absolute points respectively, and boosts the success rate by 26.6 points (+161%) over similar plain web agents with its observation and action space alignment. We achieve this without using in-context examples, new agent roles, online feedback or search strategies. AgentOccam's simple design highlights LLMs' impressive zero-shot performance on web tasks, and underlines the critical role of carefully tuning observation and action spaces for LLM-based agents.

Matteo Marchi, Stefano Soatto, Pratik Chaudhari et al.

Improvement and adoption of generative machine learning models is rapidly accelerating, as exemplified by the popularity of LLMs (Large Language Models) for text, and diffusion models for image generation. As generative models become widespread, data they generate is incorporated into shared content through the public web. This opens the question of what happens when data generated by a model is fed back to the model in subsequent training campaigns. This is a question about the stability of the training process, whether the distribution of publicly accessible content, which we refer to as "knowledge", remains stable or collapses. Small scale empirical experiments reported in the literature show that this closed-loop training process is prone to degenerating. Models may start producing gibberish data, or sample from only a small subset of the desired data distribution (a phenomenon referred to as mode collapse). So far there has been only limited theoretical understanding of this process, in part due to the complexity of the deep networks underlying these generative models. The aim of this paper is to provide insights into this process (that we refer to as "generative closed-loop learning") by studying the learning dynamics of generative models that are fed back their own produced content in addition to their original training dataset. The sampling of many of these models can be controlled via a "temperature" parameter. Using dynamical systems tools, we show that, unless a sufficient amount of external data is introduced at each iteration, any non-trivial temperature leads the model to asymptotically degenerate. In fact, either the generative distribution collapses to a small set of outputs or becomes uniform over a large set of outputs.

Siming He, Zach Osman, Pratik Chaudhari

For robotics applications where there is a limited number of (typically ego-centric) views, parametric representations such as neural radiance fields (NeRFs) generalize better than non-parametric ones such as Gaussian splatting (GS) to views that are very different from those in the training data; GS however can render much faster than NeRFs. We develop a procedure to convert back and forth between the two. Our approach achieves the best of both NeRFs (superior PSNR, SSIM, and LPIPS on dissimilar views, and a compact representation) and GS (real-time rendering and ability for easily modifying the representation); the computational cost of these conversions is minor compared to training the two from scratch.

Rohit Jena, Pratik Chaudhari, James C. Gee

The paper proposes FireANTs, a multi-scale Adaptive Riemannian Optimization algorithm for dense diffeomorphic image matching. Existing state-of-the-art methods for diffeomorphic image matching are slow due to inefficient implementations and slow convergence due to the ill-conditioned nature of the optimization problem. Deep learning methods offer fast inference but require extensive training time, substantial inference memory, and fail to generalize across long-tailed distributions or diverse image modalities, necessitating costly retraining. We address these challenges by proposing a training-free, GPU-accelerated multi-scale Adaptive Riemannian Optimization algorithm for fast and accurate dense diffeomorphic image matching. FireANTs runs about 2.5x faster than ANTs on a CPU, and upto 1200x faster on a GPU. On a single GPU, FireANTs performs competitively with deep learning methods on inference runtime while consuming upto 10x less memory. FireANTs shows remarkable robustness to a wide variety of matching problems across modalities, species, and organs without any domain-specific training or tuning. Our framework allows hyperparameter grid search studies with significantly less resources and time compared to traditional and deep learning registration algorithms alike.

Haoran Tang, Jieren Deng, Zhihong Pan et al.

Diffusion-based methods have demonstrated remarkable capabilities in generating a diverse array of high-quality images, sparking interests for styled avatars, virtual try-on, and more. Previous methods use the same reference image as the target. An overlooked aspect is the leakage of the target's spatial information, style, etc. from the reference, harming the generated diversity and causing shortcuts. However, this approach continues as widely available datasets usually consist of single images not grouped by identities, and it is expensive to recollect large-scale same-identity data. Moreover, existing metrics adopt decoupled evaluation on text alignment and identity preservation, which fail at distinguishing between balanced outputs and those that over-fit to one aspect. In this paper, we propose a multi-level, same-identity dataset RetriBooru, which groups anime characters by both face and cloth identities. RetriBooru enables adopting reference images of the same character and outfits as the target, while keeping flexible gestures and actions. We benchmark previous methods on our dataset, and demonstrate the effectiveness of training with a reference image different from target (but same identity). We introduce a new concept composition task, where the conditioning encoder learns to retrieve different concepts from several reference images, and modify a baseline network RetriNet for the new task. Finally, we introduce a novel class of metrics named Similarity Weighted Diversity (SWD), to measure the overlooked diversity and better evaluate the alignment between similarity and diversity.

Rubing Yang, Pratik Chaudhari

We derive a differential equation that governs the evolution of the generalization gap when a deep network is trained by gradient descent. This differential equation is controlled by two quantities, a contraction factor that brings together trajectories corresponding to slightly different datasets, and a perturbation factor that accounts for them training on different datasets. We analyze this differential equation to compute an ``effective Gram matrix'' that characterizes the generalization gap in terms of the alignment between this Gram matrix and a certain initial ``residual''. Empirical evaluations on image classification datasets indicate that this analysis can predict the test loss accurately. Further, during training, the residual predominantly lies in the subspace of the effective Gram matrix with the smallest eigenvalues. This indicates that the generalization gap accumulates slowly along the direction of training, charactering a benign training process. We provide novel perspectives for explaining the generalization ability of neural network training with different datasets and architectures through the alignment pattern of the ``residual" and the ``effective Gram matrix".

Tian Yu Liu, Stefano Soatto, Matteo Marchi et al.

We tackle the question of whether Large Language Models (LLMs), viewed as dynamical systems with state evolving in the embedding space of symbolic tokens, are observable. That is, whether there exist multiple 'mental' state trajectories that yield the same sequence of generated tokens, or sequences that belong to the same Nerode equivalence class ('meaning'). If not observable, mental state trajectories ('experiences') evoked by an input ('perception') or by feedback from the model's own state ('thoughts') could remain self-contained and evolve unbeknown to the user while being potentially accessible to the model provider. Such "self-contained experiences evoked by perception or thought" are akin to what the American Psychological Association (APA) defines as 'feelings'. Beyond the lexical curiosity, we show that current LLMs implemented by autoregressive Transformers cannot have 'feelings' according to this definition: The set of state trajectories indistinguishable from the tokenized output is a singleton. But if there are 'system prompts' not visible to the user, then the set of indistinguishable trajectories becomes non-trivial, and there can be multiple state trajectories that yield the same verbalized output. We prove these claims analytically, and show examples of modifications to standard LLMs that engender such 'feelings.' Our analysis sheds light on possible designs that would enable a model to perform non-trivial computation that is not visible to the user, as well as on controls that the provider of services using the model could take to prevent unintended behavior.

Siming He, Zachary Osman, Fernando Cladera et al.

Forest inventories rely on accurate measurements of the diameter at breast height (DBH) for ecological monitoring, resource management, and carbon accounting. While LiDAR-based techniques can achieve centimeter-level precision, they are cost-prohibitive and operationally complex. We present a low-cost alternative that only needs a consumer-grade 360 video camera. Our semi-automated pipeline comprises of (i) a dense point cloud reconstruction using Structure from Motion (SfM) photogrammetry software called Agisoft Metashape, (ii) semantic trunk segmentation by projecting Grounded Segment Anything (SAM) masks onto the 3D cloud, and (iii) a robust RANSAC-based technique to estimate cross section shape and DBH. We introduce an interactive visualization tool for inspecting segmented trees and their estimated DBH. On 61 acquisitions of 43 trees under a variety of conditions, our method attains median absolute relative errors of 5-9% with respect to "ground-truth" manual measurements. This is only 2-4% higher than LiDAR-based estimates, while employing a single 360 camera that costs orders of magnitude less, requires minimal setup, and is widely available.

Richeek Das, Kostas Daniilidis, Pratik Chaudhari

This paper develops a mathematical argument and algorithms for building representations of data from event-based cameras, that we call Fast Feature Field ($\text{F}^3$). We learn this representation by predicting future events from past events and show that it preserves scene structure and motion information. $\text{F}^3$ exploits the sparsity of event data and is robust to noise and variations in event rates. It can be computed efficiently using ideas from multi-resolution hash encoding and deep sets - achieving 120 Hz at HD and 440 Hz at VGA resolutions. $\text{F}^3$ represents events within a contiguous spatiotemporal volume as a multi-channel image, enabling a range of downstream tasks. We obtain state-of-the-art performance on optical flow estimation, semantic segmentation, and monocular metric depth estimation, on data from three robotic platforms (a car, a quadruped robot and a flying platform), across different lighting conditions (daytime, nighttime), environments (indoors, outdoors, urban, as well as off-road) and dynamic vision sensors (resolutions and event rates). Our implementations can predict these tasks at 25-75 Hz at HD resolution.

Rohit Jena, Vedant Zope, Pratik Chaudhari et al.

In this work, we propose FFDP, a set of IO-aware non-GEMM fused kernels supplemented with a distributed framework for image registration at unprecedented scales. Image registration is an inverse problem fundamental to biomedical and life sciences, but algorithms have not scaled in tandem with image acquisition capabilities. Our framework complements existing model parallelism techniques proposed for large-scale transformer training by optimizing non-GEMM bottlenecks and enabling convolution-aware tensor sharding. We demonstrate unprecedented capabilities by performing multimodal registration of a 100 micron ex-vivo human brain MRI volume at native resolution - an inverse problem more than 570x larger than a standard clinical datum in about a minute using only 8 A6000 GPUs. FFDP accelerates existing state-of-the-art optimization and deep learning registration pipelines by upto 6 - 7x while reducing peak memory consumption by 20 - 59%. Comparative analysis on a 250 micron dataset shows that FFDP can fit upto 64x larger problems than existing SOTA on a single GPU, and highlights both the performance and efficiency gains of FFDP compared to SOTA image registration methods.

Alok N. Shah, Khush Gupta, Keshav Ramji et al.

While modern Transformer-based language models (LMs) have achieved major success in multi-task generalization, they often struggle to capture long-range dependencies within their context window. This work introduces a novel approach using meta-tokens, special tokens injected during pre-training, along with a dedicated meta-attention mechanism to guide LMs to use these tokens. We pre-train a language model with a modified GPT-2 architecture equipped with meta-attention in addition to causal multi-head attention, and study the impact of these tokens on a suite of synthetic tasks. We find that data-efficient language model pre-training on fewer than 100B tokens utilizing meta-tokens and our meta-attention mechanism achieves strong performance on these tasks after fine-tuning. We suggest that these gains arise due to the meta-tokens sharpening the positional encoding. This enables them to operate as trainable, content-based landmarks, implicitly compressing preceding context and "caching" it in the meta-token. At inference-time, the meta-token points to relevant context, facilitating length generalization up to 2$\times$ its context window, even after extension with YaRN. We provide further evidence of these behaviors by visualizing model internals to study the residual stream, and assessing the compression quality by information-theoretic analysis on the rate-distortion tradeoff. Our findings suggest that pre-training LMs with meta-tokens offers a simple, data-efficient method to enhance long-context language modeling performance, while introducing new insights into the nature of their behavior towards length generalization.

Evangelos Sariyanidi, John D. Herrington, Lisa Yankowitz et al.

Measuring the statistical dependence between observed signals is a primary tool for scientific discovery. However, biological systems often exhibit complex non-linear interactions that currently cannot be captured without a priori knowledge regarding the nature of dependence. We introduce a self-supervised approach, concurrence, which is inspired by the observation that if two signals are dependent, then one should be able to distinguish between temporally aligned vs. misaligned segments extracted from them. Experiments with fMRI, physiological and behavioral signals show that, to our knowledge, concurrence is the first approach that can expose relationships across such a wide spectrum of signals and extract scientifically relevant differences without ad-hoc parameter tuning or reliance on a priori information, providing a potent tool for scientific discoveries across fields. However, dependencies caused by extraneous factors remain an open problem, thus researchers should validate that exposed relationships truly pertain to the question(s) of interest.

Jialin Mao, Itay Griniasty, Yan Sun et al.

Recent experiments have shown that training trajectories of multiple deep neural networks with different architectures, optimization algorithms, hyper-parameter settings, and regularization methods evolve on a remarkably low-dimensional "hyper-ribbon-like" manifold in the space of probability distributions. Inspired by the similarities in the training trajectories of deep networks and linear networks, we analytically characterize this phenomenon for the latter. We show, using tools in dynamical systems theory, that the geometry of this low-dimensional manifold is controlled by (i) the decay rate of the eigenvalues of the input correlation matrix of the training data, (ii) the relative scale of the ground-truth output to the weights at the beginning of training, and (iii) the number of steps of gradient descent. By analytically computing and bounding the contributions of these quantities, we characterize phase boundaries of the region where hyper-ribbons are to be expected. We also extend our analysis to kernel machines and linear models that are trained with stochastic gradient descent.

Stefano Soatto, Paulo Tabuada, Pratik Chaudhari et al.

We tackle the question of whether an agent can, by suitable choice of prompts, control an AI bot to any state. To that end, we first introduce a formal definition of ``meaning'' that is amenable to analysis. Then, we characterize ``meaningful data'' on which large language models (LLMs) are ostensibly trained, and ``well-trained LLMs'' through conditions that are largely met by today's LLMs. While a well-trained LLM constructs an embedding space of meanings that is Euclidean, meanings themselves do not form a vector (linear) subspace, but rather a quotient space within. We then characterize the subset of meanings that can be reached by the state of the LLMs for some input prompt, and show that a well-trained bot can reach any meaning albeit with small probability. We then introduce a stronger notion of controllability as {\em almost certain reachability}, and show that, when restricted to the space of meanings, an AI bot is controllable. We do so after introducing a functional characterization of attentive AI bots, and finally derive necessary and sufficient conditions for controllability. The fact that AI bots are controllable means that an adversary could steer them towards any state. However, the sampling process can be designed to counteract adverse actions and avoid reaching undesirable regions of state space before their boundary is crossed.

Daiwei Chen, Wei-Kai Chang, Pratik Chaudhari

We use a formal correspondence between thermodynamics and inference, where the number of samples can be thought of as the inverse temperature, to study a quantity called ``learning capacity'' which is a measure of the effective dimensionality of a model. We show that the learning capacity is a useful notion of the complexity because (a) it correlates well with the test loss and it is a tiny fraction of the number of parameters for many deep networks trained on typical datasets, (b) it depends upon the number of samples used for training, (c) it is numerically consistent with notions of capacity obtained from PAC-Bayes generalization bounds, and (d) the test loss as a function of the learning capacity does not exhibit double descent. We show that the learning capacity saturates at very small and very large sample sizes; the threshold that characterizes the transition between these two regimes provides guidelines as to when one should procure more data and when one should search for a different architecture to improve performance. We show how the learning capacity can be used to provide a quantitative notion of capacity even for non-parametric models such as random forests and nearest neighbor classifiers.

Jialin Mao, Itay Griniasty, Han Kheng Teoh et al.

We develop information-geometric techniques to analyze the trajectories of the predictions of deep networks during training. By examining the underlying high-dimensional probabilistic models, we reveal that the training process explores an effectively low-dimensional manifold. Networks with a wide range of architectures, sizes, trained using different optimization methods, regularization techniques, data augmentation techniques, and weight initializations lie on the same manifold in the prediction space. We study the details of this manifold to find that networks with different architectures follow distinguishable trajectories but other factors have a minimal influence; larger networks train along a similar manifold as that of smaller networks, just faster; and networks initialized at very different parts of the prediction space converge to the solution along a similar manifold.

Shiyun Xu, Zhiqi Bu, Pratik Chaudhari et al.

Interpretable machine learning has demonstrated impressive performance while preserving explainability. In particular, neural additive models (NAM) offer the interpretability to the black-box deep learning and achieve state-of-the-art accuracy among the large family of generalized additive models. In order to empower NAM with feature selection and improve the generalization, we propose the sparse neural additive models (SNAM) that employ the group sparsity regularization (e.g. Group LASSO), where each feature is learned by a sub-network whose trainable parameters are clustered as a group. We study the theoretical properties for SNAM with novel techniques to tackle the non-parametric truth, thus extending from classical sparse linear models such as the LASSO, which only works on the parametric truth. Specifically, we show that SNAM with subgradient and proximal gradient descents provably converges to zero training loss as $t\to\infty$, and that the estimation error of SNAM vanishes asymptotically as $n\to\infty$. We also prove that SNAM, similar to LASSO, can have exact support recovery, i.e. perfect feature selection, with appropriate regularization. Moreover, we show that the SNAM can generalize well and preserve the `identifiability', recovering each feature's effect. We validate our theories via extensive experiments and further testify to the good accuracy and efficiency of SNAM.

Ashwin De Silva, Rahul Ramesh, Lyle Ungar et al.

Learning is a process which can update decision rules, based on past experience, such that future performance improves. Traditionally, machine learning is often evaluated under the assumption that the future will be identical to the past in distribution or change adversarially. But these assumptions can be either too optimistic or pessimistic for many problems in the real world. Real world scenarios evolve over multiple spatiotemporal scales with partially predictable dynamics. Here we reformulate the learning problem to one that centers around this idea of dynamic futures that are partially learnable. We conjecture that certain sequences of tasks are not retrospectively learnable (in which the data distribution is fixed), but are prospectively learnable (in which distributions may be dynamic), suggesting that prospective learning is more difficult in kind than retrospective learning. We argue that prospective learning more accurately characterizes many real world problems that (1) currently stymie existing artificial intelligence solutions and/or (2) lack adequate explanations for how natural intelligences solve them. Thus, studying prospective learning will lead to deeper insights and solutions to currently vexing challenges in both natural and artificial intelligences.

Rubing Yang, Jialin Mao, Pratik Chaudhari

We show that the input correlation matrix of typical classification datasets has an eigenspectrum where, after a sharp initial drop, a large number of small eigenvalues are distributed uniformly over an exponentially large range. This structure is mirrored in a network trained on this data: we show that the Hessian and the Fisher Information Matrix (FIM) have eigenvalues that are spread uniformly over exponentially large ranges. We call such eigenspectra "sloppy" because sets of weights corresponding to small eigenvalues can be changed by large magnitudes without affecting the loss. Networks trained on atypical datasets with non-sloppy inputs do not share these traits and deep networks trained on such datasets generalize poorly. Inspired by this, we study the hypothesis that sloppiness of inputs aids generalization in deep networks. We show that if the Hessian is sloppy, we can compute non-vacuous PAC-Bayes generalization bounds analytically. By exploiting our empirical observation that training predominantly takes place in the non-sloppy subspace of the FIM, we develop data-distribution dependent PAC-Bayes priors that lead to accurate generalization bounds using numerical optimization.

Rongguang Wang, Pratik Chaudhari, Christos Davatzikos

Heterogeneity in medical data, e.g., from data collected at different sites and with different protocols in a clinical study, is a fundamental hurdle for accurate prediction using machine learning models, as such models often fail to generalize well. This paper leverages a recently proposed normalizing-flow-based method to perform counterfactual inference upon a structural causal model (SCM), in order to achieve harmonization of such data. A causal model is used to model observed effects (brain magnetic resonance imaging data) that result from known confounders (site, gender and age) and exogenous noise variables. Our formulation exploits the bijection induced by flow for the purpose of harmonization. We infer the posterior of exogenous variables, intervene on observations, and draw samples from the resultant SCM to obtain counterfactuals. This approach is evaluated extensively on multiple, large, real-world medical datasets and displayed better cross-domain generalization compared to state-of-the-art algorithms. Further experiments that evaluate the quality of confounder-independent data generated by our model using regression and classification tasks are provided.

Wenbo Zhang, Karl Schmeckpeper, Pratik Chaudhari et al.

We propose a framework for deformable linear object prediction. Prediction of deformable objects (e.g., rope) is challenging due to their non-linear dynamics and infinite-dimensional configuration spaces. By mapping the dynamics from a non-linear space to a linear space, we can use the good properties of linear dynamics for easier learning and more efficient prediction. We learn a locally linear, action-conditioned dynamics model that can be used to predict future latent states. Then, we decode the predicted latent state into the predicted state. We also apply a sampling-based optimization algorithm to select the optimal control action. We empirically demonstrate that our approach can predict the rope state accurately up to ten steps into the future and that our algorithm can find the optimal action given an initial state and a goal state.

Rongguang Wang, Pratik Chaudhari, Christos Davatzikos

Domain shift, the mismatch between training and testing data characteristics, causes significant degradation in the predictive performance in multi-source imaging scenarios. In medical imaging, the heterogeneity of population, scanners and acquisition protocols at different sites presents a significant domain shift challenge and has limited the widespread clinical adoption of machine learning models. Harmonization methods which aim to learn a representation of data invariant to these differences are the prevalent tools to address domain shift, but they typically result in degradation of predictive accuracy. This paper takes a different perspective of the problem: we embrace this disharmony in data and design a simple but effective framework for tackling domain shift. The key idea, based on our theoretical arguments, is to build a pretrained classifier on the source data and adapt this model to new data. The classifier can be fine-tuned for intra-site domain adaptation. We can also tackle situations where we do not have access to ground-truth labels on target data; we show how one can use auxiliary tasks for adaptation; these tasks employ covariates such as age, gender and race which are easy to obtain but nevertheless correlated to the main task. We demonstrate substantial improvements in both intra-site domain adaptation and inter-site domain generalization on large-scale real-world 3D brain MRI datasets for classifying Alzheimer's disease and schizophrenia.

Rasool Fakoor, Jonas Mueller, Kavosh Asadi et al.

Reliant on too many experiments to learn good actions, current Reinforcement Learning (RL) algorithms have limited applicability in real-world settings, which can be too expensive to allow exploration. We propose an algorithm for batch RL, where effective policies are learned using only a fixed offline dataset instead of online interactions with the environment. The limited data in batch RL produces inherent uncertainty in value estimates of states/actions that were insufficiently represented in the training data. This leads to particularly severe extrapolation when our candidate policies diverge from one that generated the data. We propose to mitigate this issue via two straightforward penalties: a policy-constraint to reduce this divergence and a value-constraint that discourages overly optimistic estimates. Over a comprehensive set of 32 continuous-action batch RL benchmarks, our approach compares favorably to state-of-the-art methods, regardless of how the offline data were collected.

Christopher D. Hsu, Heejin Jeong, George J. Pappas et al.

We develop a Multi-Agent Reinforcement Learning (MARL) method to learn scalable control policies for target tracking. Our method can handle an arbitrary number of pursuers and targets; we show results for tasks consisting up to 1000 pursuers tracking 1000 targets. We use a decentralized, partially-observable Markov Decision Process framework to model pursuers as agents receiving partial observations (range and bearing) about targets which move using fixed, unknown policies. An attention mechanism is used to parameterize the value function of the agents; this mechanism allows us to handle an arbitrary number of targets. Entropy-regularized off-policy RL methods are used to train a stochastic policy, and we discuss how it enables a hedging behavior between pursuers that leads to a weak form of cooperation in spite of completely decentralized control execution. We further develop a masking heuristic that allows training on smaller problems with few pursuers-targets and execution on much larger problems. Thorough simulation experiments, ablation studies, and comparisons to state of the art algorithms are performed to study the scalability of the approach and robustness of performance to varying numbers of agents and targets.

Yansong Gao, Pratik Chaudhari

This paper prescribes a distance between learning tasks modeled as joint distributions on data and labels. Using tools in information geometry, the distance is defined to be the length of the shortest weight trajectory on a Riemannian manifold as a classifier is fitted on an interpolated task. The interpolated task evolves from the source to the target task using an optimal transport formulation. This distance, which we call the "coupled transfer distance" can be compared across different classifier architectures. We develop an algorithm to compute the distance which iteratively transports the marginal on the data of the source task to that of the target task while updating the weights of the classifier to track this evolving data distribution. We develop theory to show that our distance captures the intuitive idea that a good transfer trajectory is the one that keeps the generalization gap small during transfer, in particular at the end on the target task. We perform thorough empirical validation and analysis across diverse image classification datasets to show that the coupled transfer distance correlates strongly with the difficulty of fine-tuning.

Xiaoyi Chen, Pratik Chaudhari

Autonomous navigation in crowded, complex urban environments requires interacting with other agents on the road. A common solution to this problem is to use a prediction model to guess the likely future actions of other agents. While this is reasonable, it leads to overly conservative plans because it does not explicitly model the mutual influence of the actions of interacting agents. This paper builds a reinforcement learning-based method named MIDAS where an ego-agent learns to affect the control actions of other cars in urban driving scenarios. MIDAS uses an attention-mechanism to handle an arbitrary number of other agents and includes a "driver-type" parameter to learn a single policy that works across different planning objectives. We build a simulation environment that enables diverse interaction experiments with a large number of agents and methods for quantitatively studying the safety, efficiency, and interaction among vehicles. MIDAS is validated using extensive experiments and we show that it (i) can work across different road geometries, (ii) results in an adaptive ego policy that can be tuned easily to satisfy performance criteria such as aggressive or cautious driving, (iii) is robust to changes in the driving policies of external agents, and (iv) is more efficient and safer than existing approaches to interaction-aware decision-making.

Marco Maggipinto, Gian Antonio Susto, Pratik Chaudhari

This paper introduces two simple techniques to improve off-policy Reinforcement Learning (RL) algorithms. First, we formulate off-policy RL as a stochastic proximal point iteration. The target network plays the role of the variable of optimization and the value network computes the proximal operator. Second, we exploits the two value functions commonly employed in state-of-the-art off-policy algorithms to provide an improved action value estimate through bootstrapping with limited increase of computational resources. Further, we demonstrate significant performance improvement over state-of-the-art algorithms on standard continuous-control RL benchmarks.

Rasool Fakoor, Pratik Chaudhari, Alexander J. Smola

This paper prescribes a suite of techniques for off-policy Reinforcement Learning (RL) that simplify the training process and reduce the sample complexity. First, we show that simple Deterministic Policy Gradient works remarkably well as long as the overestimation bias is controlled. This is contrast to existing literature which creates sophisticated off-policy techniques. Second, we pinpoint training instabilities, typical of off-policy algorithms, to the greedy policy update step; existing solutions such as delayed policy updates do not mitigate this issue. Third, we show that ideas in the propensity estimation literature can be used to importance-sample transitions from the replay buffer and selectively update the policy to prevent deterioration of performance. We make these claims using extensive experimentation on a set of challenging MuJoCo tasks. A short video of our results can be seen at https://tinyurl.com/scs6p5m .

Rasool Fakoor, Jonas Mueller, Nick Erickson et al.

Automated machine learning (AutoML) can produce complex model ensembles by stacking, bagging, and boosting many individual models like trees, deep networks, and nearest neighbor estimators. While highly accurate, the resulting predictors are large, slow, and opaque as compared to their constituents. To improve the deployment of AutoML on tabular data, we propose FAST-DAD to distill arbitrarily complex ensemble predictors into individual models like boosted trees, random forests, and deep networks. At the heart of our approach is a data augmentation strategy based on Gibbs sampling from a self-attention pseudolikelihood estimator. Across 30 datasets spanning regression and binary/multiclass classification tasks, FAST-DAD distillation produces significantly better individual models than one obtains through standard training on the original data. Our individual distilled models are over 10x faster and more accurate than ensemble predictors produced by AutoML tools like H2O/AutoSklearn.

Achin Jain, Matthew O'Kelly, Pratik Chaudhari et al.

Autonomous race cars require perception, estimation, planning, and control modules which work together asynchronously while driving at the limit of a vehicle's handling capability. A fundamental challenge encountered in designing these software components lies in predicting the vehicle's future state (e.g. position, orientation, and speed) with high accuracy. The root cause is the difficulty in identifying vehicle model parameters that capture the effects of lateral tire slip. We present a model-based planning and control framework for autonomous racing that significantly reduces the effort required in system identification and control design. Our approach alleviates the gap induced by simulation-based controller design by learning from on-board sensor measurements. A major focus of this work is empirical, thus, we demonstrate our contributions by experiments on validated 1:43 and 1:10 scale autonomous racing simulations.