80 accepted papers
Pretraining and fine-tuning are central stages in modern machine learning systems. In practice, feature learning plays an important role across both stages: deep neural networks learn a broad range of useful features during pretraining and further refine those features during fine-tuning. However, a…
Mendelian Randomization (MR) is a prominent observational epidemiological research method, designed to address unobserved confounding when estimating causal effects. It is closely related to instrumental variable (IV) methods, where genetic variants serve as instruments to infer causal relationships…
Large language models (LLMs) are typically deployed under diverse memory and compute constraints. Existing approaches build model families by training each size independently, which is prohibitively expensive and provides only coarse-grained size options. In this work, we identify a novel phenomenon…
Randomized Controlled Trials are one of the pillars of science; nevertheless, they rely on hand-crafted hypotheses and expensive analysis. Such constraints prevent causal effect estimation at scale, potentially anchoring on popular yet incomplete hypotheses. We propose to discover the unknown effect…
Despite the progress in the development of generative models, their usefulness in creating synthetic data that improve prediction performance of classifiers has been put into question. Besides heuristic principles such as ''synthetic data should be close to the real data distribution'', it is actual…
Self-supervised models exhibit a surprising stability in their internal representations. Whereas most prior work treats this stability as a single property, we formalize it as two distinct concepts: **statistical identifiability** (consistency of representations across runs) and **structural identi…
Diffusion-based models on continuous spaces have seen substantial recent progress through the mathematical framework of gradient flows, leveraging the Wasserstein-2 (${W}_2$) metric via the Jordan-Kinderlehrer-Otto (JKO) scheme. Despite the increasing popularity of diffusion models on discrete space…
Modeling the dynamics of cellular differentiation is fundamental to advancing the understanding and treatment of diseases associated with this process, such as cancer. With the rapid growth of single-cell datasets, this has also become a particularly promising and active domain for machine learning.…
Neural networks transform high-dimensional data into compact, structured representations, often modeled as elements of a lower dimensional latent space. In this paper, we present an alternative interpretation of neural models as dynamical systems acting on the latent manifold. Specifically, we show…
While Vision Foundation Models (VFMs) excel at predictive tasks on satellite imagery, their performance can arise from visual correlations rather than underlying structural invariants, making certain perception-based out-of-distribution accuracy a poor proxy for scientific utility. As a result, mode…
Recently, sparse autoencoders (SAEs) have emerged as an attractive tool for interpreting and interacting with representations in practical neural networks. While it is common empirical folklore, we also show theoretically that SAEs are highly unstable: different training runs are likely to produce d…
Selection bias is pervasive in observational studies. For example, large scale biobanks data can exhibit ``healthy volunteer bias'' when respondents are healthier and of higher socio-economic status than the population they are meant to represent. Recovering causal effects from such sub-population i…
Neural models learn representations of high-dimensional data on low-dimensional manifolds. Multiple factors, including stochasticities in the training process, model architectures, and additional inductive biases, may induce different representations, even when learning the same task on the same dat…
Language and vision-language models have shown impressive performance across a wide range of tasks, but their internal mechanisms remain only partly understood. In this work, we study how individual attention heads in text-generative models specialize in specific semantic or visual attributes. Build…
Post-hoc importance attribution methods are a popular tool for “explaining” Deep Neural Networks (DNNs) and are inherently based on the assumption that the explanations can be applied independently of how the models were trained. Contrarily, in this work we bring forward empirical evidence that chal…
We present Mechanistic PDE Networks -- a model for discovery of governing *partial differential equations* from data. Mechanistic PDE Networks represent spatiotemporal data as space-time dependent *linear* partial differential equations in neural network hidden representations. The represented PDEs…
We introduce NeCo: Patch Neighbor Consistency, a novel self-supervised training loss that enforces patch-level nearest neighbor consistency across a student and teacher model. Compared to contrastive approaches that only yield binary learning signals, i.e. "attract" and "repel", this approach benefi…
Deep learning systems deployed in real-world applications often encounter data that is different from their in-distribution (ID). A reliable model should ideally abstain from making decisions in this out-of-distribution (OOD) setting. Existing state-of-the-art methods primarily focus on feature dist…
In many scientific experiments, the data annotating cost constraints the pace for testing novel hypotheses. Yet, modern machine learning pipelines offer a promising solution—provided their predictions yield correct conclusions. We focus on Prediction-Powered Causal Inferences (PPCI), i.e., estimatin…
We propose Scalable Mechanistic Neural Network (S-MNN), an enhanced neural network framework designed for scientific machine learning applications involving long temporal sequences. By reformulating the original Mechanistic Neural Network (MNN) (Pervez et al., 2024), we reduce the computational time…
Causal reasoning and discovery, two fundamental tasks of causal analysis, often face challenges in applications due to the complexity, noisiness, and high-dimensionality of real-world data. Despite recent progress in identifying latent causal structures using causal representation learning (CRL), wh…
Causal representation learning (CRL) aims at recovering latent causal variables from high-dimensional observations to solve causal downstream tasks, such as predicting the effect of new interventions or more robust classification. A plethora of methods have been developed, each tackling carefully…
Causal representation learning aims at identifying high-level causal variables from perceptual data. Most methods assume that all latent causal variables are captured in the high-dimensional observations. We instead consider a partially observed setting, in which each measurement only provides infor…
Object-centric learning (OCL) extracts the representation of objects with slots offering an exceptional blend of flexibility and interpretability for abstracting low-level perceptual features. A widely adopted method within OCL is slot attention which utilizes attention mechanisms to iteratively ref…
The extraction of object-centric representations for downstream tasks is an emerging area of research. Learning grounded representations of objects that are guaranteed to be stable and invariant promises robust performance across different tasks and environments. Slot Attention (SA) learns object-ce…
Learning modular object-centric representations is said to be crucial for systematic generalization. Existing methods show promising object-binding capabilities empirically, but theoretical identifiability guarantees remain relatively underdeveloped. Understanding when object-centric representations…
We consider the linear causal representation learning setting where we observe a linear mixing of $d$ unknown latent factors, which follow a linear structural causal model. Recent work has shown that it is possible to recover the latent factors as well as the underlying structural causal model over…
Neural models learn data representations that lie on low-dimensional manifolds, yet modeling the relation between these representational spaces is an ongoing challenge. By integrating spectral geometry principles into neural modeling, we show that this problem can be better addressed in the function…
Causal representation learning promises to extend causal models to hidden causal variables from raw entangled measurements. However, most progress has focused on proving identifiability results in different settings, and we are not aware of any successful real-world application. At the same time, th…
This paper presents *Mechanistic Neural Networks*, a neural network design for machine learning applications in the sciences. It incorporates a new *Mechanistic Block* in standard architectures to explicitly learn governing differential equations as representations, revealing the underlying dynamics…
We present a unified framework for studying the identifiability of representations learned from simultaneously observed views, such as different data modalities. We allow a partially observed setting in which each view constitutes a nonlinear mixture of a subset of underlying latent variables, which…
As causal ground truth is incredibly rare, causal discovery algorithms are commonly only evaluated on simulated data. This is concerning, given that simulations reflect preconceptions about generating processes regarding noise distributions, model classes, and more. In this work, we propose a novel…
Machine Learning and AI have the potential to transform data-driven scientific discovery, enabling accurate predictions for several scientific phenomena. As many scientific questions are inherently causal, this paper looks at the causal inference task of treatment effect estimation, where the outcom…
Models prone to spurious correlations in training data often produce brittle predictions and introduce unintended biases. Addressing this challenge typically involves methods relying on prior knowledge and group annotation to remove spurious correlations, which may not be readily available in many a…
CLIP proved that aligning visual and language spaces is key to solving many vision tasks without explicit training, but required to train image and text encoders from scratch on a huge dataset. LiT improved this by only training the text encoder and using a pre-trained vision network. In this paper,…
When domain knowledge is limited and experimentation is restricted by ethical, financial, or time constraints, practitioners turn to observational causal discovery methods to recover the causal structure, exploiting the statistical properties of their data. Because causal discovery without further a…
This paper focuses on over-parameterized deep neural networks (DNNs) with ReLU activation functions and proves that when the data distribution is well-separated, DNNs can achieve Bayes-optimal test error for classification while obtaining (nearly) zero-training error under the lazy training regime.…
Humans naturally decompose their environment into entities at the appropriate level of abstraction to act in the world. Allowing machine learning algorithms to derive this decomposition in an unsupervised way has become an important line of research. However, current methods are restricted to simula…
While different neural models often exhibit latent spaces that are alike when exposed to semantically related data, this intrinsic similarity is not always immediately discernible. Towards a better understanding of this phenomenon, our work shows how representations learned from these neural modules…
Recovering the latent factors of variation of high dimensional data has so far focused on simple synthetic settings. Mostly building on unsupervised and weakly-supervised objectives, prior work missed out on the positive implications for representation learning on real world data. In this work, we p…
Unsupervised object-centric learning methods allow the partitioning of scenes into entities without additional localization information and are excellent candidates for reducing the annotation burden of multiple-object tracking (MOT) pipelines. Unfortunately, they lack two key properties: objects ar…
Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, f…
The binding problem in human cognition, concerning how the brain represents and connects objects within a fixed network of neural connections, remains a subject of intense debate. Most machine learning efforts addressing this issue in an unsupervised setting have focused on slot-based methods, which…
This paper provides statistical sample complexity bounds for score-matching and its applications in causal discovery. We demonstrate that accurate estimation of the score function is achievable by training a standard deep ReLU neural network using stochastic gradient descent. We establish bounds on…
In this paper, we show that recent advances in video representation learning and pre-trained vision-language models allow for substantial improvements in self-supervised video object localization. We propose a method that first localizes objects in videos via a slot attention approach and then assig…
In this paper, we show that recent advances in self-supervised representation learning enable unsupervised object discovery and semantic segmentation with a performance that matches the state of the field on supervised semantic segmentation 10 years ago. We propose a methodology based on unsupervise…
We show that deep networks trained to satisfy demographic parity often do so through a form of race or gender awareness, and that the more we force a network to be fair, the more accurately we can recover race or gender from the internal state of the network. Based on this observation, we investigat…
Since out-of-distribution generalization is a generally ill-posed problem, various proxy targets (e.g., calibration, adversarial robustness, algorithmic corruptions, invariance across shifts) were studied across different research programs resulting in different recommendations. While sharing the sa…
We propose a stochastic conditional gradient method (CGM) for minimizing convex finite-sum objectives formed as a sum of smooth and non-smooth terms. Existing CGM variants for this template either suffer from slow convergence rates, or require carefully increasing the batch size over the course of t…
The idea behind object-centric representation learning is that natural scenes can better be modeled as compositions of objects and their relations as opposed to distributed representations. This inductive bias can be injected into neural networks to potentially improve systematic generalization and…
Algorithmic fairness is frequently motivated in terms of a trade-off in which overall performance is decreased so as to improve performance on disadvantaged groups where the algorithm would otherwise be less accurate. Contrary to this, we find that applying existing fairness approaches to computer v…
Recent work has seen the development of general purpose neural architectures that can be trained to perform tasks across diverse data modalities. General purpose models typically make few assumptions about the underlying data-structure and are known to perform well in the large-data regime. At the s…
This paper demonstrates how to recover causal graphs from the score of the data distribution in non-linear additive (Gaussian) noise models. Using score matching algorithms as a building block, we show how to design a new generation of scalable causal discovery methods. To showcase our approach, we…
Amodal perception requires inferring the full shape of an object that is partially occluded. This task is particularly challenging on two levels: (1) it requires more information than what is contained in the instant retina or imaging sensor, (2) it is difficult to obtain enough well-annotated amoda…
Building sample-efficient agents that generalize out-of-distribution (OOD) in real-world settings remains a fundamental unsolved problem on the path towards achieving higher-level cognition. One particularly promising approach is to begin with low-dimensional, pretrained representations of our world…
An important component for generalization in machine learning is to uncover underlying latent factors of variation as well as the mechanism through which each factor acts in the world. In this paper, we test whether 17 unsupervised, weakly supervised, and fully supervised representation learning app…
Predicting the future trajectory of a moving agent can be easy when the past trajectory continues smoothly but is challenging when complex interactions with other agents are involved. Recent deep learning approaches for trajectory prediction show promising performance and partially attribute this to…
When machine learning systems meet real world applications, accuracy is only one of several requirements. In this paper, we assay a complementary perspective originating from the increasing availability of pre-trained and regularly improving state-of-the-art models. While new improved models develop…
Variational Inference makes a trade-off between the capacity of the variational family and the tractability of finding an approximate posterior distribution. Instead, Boosting Variational Inference allows practitioners to obtain increasingly good posterior approximations by spending more compute. Th…
Modern neural network architectures can leverage large amounts of data to generalize well within the training distribution. However, they are less capable of systematic generalization to data drawn from unseen but related distributions, a feat that is hypothesized to require compositional reasoning…
Intensive care units (ICU) are increasingly looking towards machine learning for methods to provide online monitoring of critically ill patients. In machine learning, online monitoring is often formulated as a supervised learning problem. Recently, contrastive learning approaches have demonstrated p…
The focus of disentanglement approaches has been on identifying independent factors of variation in data. However, the causal variables underlying real-world observations are often not statistically independent. In this work, we bridge the gap to real-world scenarios by analyzing the behavior of the…
Learning meaningful representations that disentangle the underlying structure of the data generating process is considered to be of key importance in machine learning. While disentangled representations were found to be useful for diverse tasks such as abstract reasoning and fair classification, the…
Self-supervised representation learning has shown remarkable success in a number of domains. A common practice is to perform data augmentation via hand-crafted transformations intended to leave the semantics of the data invariant. We seek to understand the empirical success of this approach from a t…
Learning disentangled representations is considered a cornerstone problem in representation learning. Recently, Locatello et al. (2019) demonstrated that unsupervised disentanglement learning without inductive biases is theoretically impossible and that existing inductive biases and unsupervised met…
Learning object-centric representations of complex scenes is a promising step towards enabling efficient abstract reasoning from low-level perceptual features. Yet, most deep learning approaches learn distributed representations that do not capture the compositional properties of natural scenes. In…
We propose a novel Stochastic Frank-Wolfe (a. k. a. conditional gradient) algorithm for constrained smooth finite-sum minimization with a generalized linear prediction/structure. This class of problems includes empirical risk minimization with sparse, low-rank, or other structured constraints. The p…
Intelligent agents should be able to learn useful representations by observing changes in their environment. We model such observations as pairs of non-i.i.d. images sharing at least one of the underlying factors of variation. First, we theoretically show that only knowing how many factors have chan…
The key idea behind the unsupervised learning of disentangled representations is that real-world data is generated by a few explanatory factors of variation which can be recovered by unsupervised learning algorithms. In this paper, we provide a sober look at recent progress in the field and challeng…
Recently there has been a significant interest in learning disentangled representations, as they promise increased interpretability, generalization to unseen scenarios and faster learning on downstream tasks. In this paper, we investigate the usefulness of different notions of disentanglement for i…
Learning meaningful and compact representations with disentangled semantic aspects is considered to be of key importance in representation learning. Since real-world data is notoriously costly to collect, many recent state-of-the-art disentanglement models have heavily relied on synthetic toy data-s…
High-dimensional time series are common in many domains. Since human cognition is not optimized to work well in high-dimensional spaces, these areas could benefit from interpretable low-dimensional representations. However, most representation learning algorithms for time series data are difficult t…
A broad class of convex optimization problems can be formulated as a semidefinite program (SDP), minimization of a convex function over the positive-semidefinite cone subject to some affine constraints. The majority of classical SDP solvers are designed for the deterministic setting where problem da…
We consider the problem of recovering a common latent source with independent components from multiple views. This applies to settings in which a variable is measured with multiple experimental modalities, and where the goal is to synthesize the disparate measurements into a single unified represent…
We propose a conditional gradient framework for a composite convex minimization template with broad applications. Our approach combines smoothing and homotopy techniques under the CGM framework, and provably achieves the optimal convergence rate. We demonstrate that the same rate holds if the linear…
Approximating a probability density in a tractable manner is a central task in Bayesian statistics. Variational Inference (VI) is a popular technique that achieves tractability by choosing a relatively simple variational approximation. Borrowing ideas from the classic boosting framework, recent appr…
Variational inference is a popular technique to approximate a possibly intractable Bayesian posterior with a more tractable one. Recently, boosting variational inference has been proposed as a new paradigm to approximate the posterior by a mixture of densities by greedily adding components to the mi…
Two popular examples of first-order optimization methods over linear spaces are coordinate descent and matching pursuit algorithms, with their randomized variants. While the former targets the optimization by moving along coordinates, the latter considers a generalized notion of directions. Exploiti…
Two of the most fundamental prototypes of greedy optimization are the matching pursuit and Frank-Wolfe algorithms. In this paper we take a unified view on both classes of methods, leading to the first explicit convergence rates of matching pursuit methods in an optimization sense, for general sets o…
Greedy optimization methods such as Matching Pursuit (MP) and Frank-Wolfe (FW) algorithms regained popularity in recent years due to their simplicity, effectiveness and theoretical guarantees. MP and FW address optimization over the linear span and the convex hull of a set of atoms, respectively. In…