We consider the problem of partial identification, the estimation of bounds on the treatment effects from observational data. Although studied using discrete treatment variables or in specific causal graphs (e.g., instrumental variables), partial identification has been recently explored using tools from deep generative modeling. We propose a new method for partial identification of average treatment effects (ATEs) in general causal graphs using implicit generative models comprising continuous and discrete random variables. Since ATE with continuous treatment is generally non-regular, we leverage the partial derivatives of response functions to define a regular approximation of ATE, a quantity we call uniform average treatment derivative (UATD). We prove that our algorithm converges to tight bounds on ATE in linear structural causal models (SCMs). For nonlinear SCMs, we empirically show that using UATD leads to tighter and more stable bounds than methods that directly optimize the ATE.

Latest advances in Super-Resolution (SR) have been tested with general purpose images such as faces, landscapes and objects, mainly unused for the task of super-resolving Earth Observation (EO) images. In this research paper, we benchmark state-of-the-art SR algorithms for distinct EO datasets using both Full-Reference and No-Reference Image Quality Assessment (IQA) metrics. We also propose a novel Quality Metric Regression Network (QMRNet) that is able to predict quality (as a No-Reference metric) by training on any property of the image (i.e. its resolution, its distortions...) and also able to optimize SR algorithms for a specific metric objective. This work is part of the implementation of the framework IQUAFLOW which has been developed for evaluating image quality, detection and classification of objects as well as image compression in EO use cases. We integrated our experimentation and tested our QMRNet algorithm on predicting features like blur, sharpness, snr, rer and ground sampling distance (GSD) and obtain validation medRs below 1.0 (out of N=50) and recall rates above 95\%. Overall benchmark shows promising results for LIIF, CAR and MSRN and also the potential use of QMRNet as Loss for optimizing SR predictions. Due to its simplicity, QMRNet could also be used for other use cases and image domains, as its architecture and data processing is fully scalable.

Learning-based perception and prediction modules in modern autonomous driving systems typically rely on expensive human annotation and are designed to perceive only a handful of predefined object categories. This closed-set paradigm is insufficient for the safety-critical autonomous driving task, where the autonomous vehicle needs to process arbitrarily many types of traffic participants and their motion behaviors in a highly dynamic world. To address this difficulty, this paper pioneers a novel and challenging direction, i.e., training perception and prediction models to understand open-set moving objects, with no human supervision. Our proposed framework uses self-learned flow to trigger an automated meta labeling pipeline to achieve automatic supervision. 3D detection experiments on the Waymo Open Dataset show that our method significantly outperforms classical unsupervised approaches and is even competitive to the counterpart with supervised scene flow. We further show that our approach generates highly promising results in open-set 3D detection and trajectory prediction, confirming its potential in closing the safety gap of fully supervised systems.

Algorithms for text-generation in dialogue can be misguided. For example, in task-oriented settings, reinforcement learning that optimizes only task-success can lead to abysmal lexical diversity. We hypothesize this is due to poor theoretical understanding of the objectives in text-generation and their relation to the learning process (i.e., model training). To this end, we propose a new theoretical framework for learning to generate text in dialogue. Compared to existing theories of learning, our framework allows for analysis of the multi-faceted goals inherent to text-generation. We use our framework to develop theoretical guarantees for learners that adapt to unseen data. As an example, we apply our theory to study data-shift within a cooperative learning algorithm proposed for the GuessWhat?! visual dialogue game. From this insight, we propose a new algorithm, and empirically, we demonstrate our proposal improves both task-success and human-likeness of the generated text. Finally, we show statistics from our theory are empirically predictive of multiple qualities of the generated dialogue, suggesting our theory is useful for model-selection when human evaluations are not available.

In the traditional federated learning setting, a central server coordinates a network of clients to train one global model. However, the global model may serve many clients poorly due to data heterogeneity. Moreover, there may not exist a trusted central party that can coordinate the clients to ensure that each of them can benefit from others. To address these concerns, we present a novel decentralized framework, FedeRiCo, where each client can learn as much or as little from other clients as is optimal for its local data distribution. Based on expectationmaximization, FedeRiCo estimates the utilities of other participants' models on each client's data so that everyone can select the right collaborators for learning. As a result, our algorithm outperforms other federated, personalized, and/or decentralized approaches on several benchmark datasets, being the only approach that consistently performs better than training with local data only. Federated learning (FL) (McMahan et al., 2017) offers a framework in which a single server-side model is collaboratively trained across decentralized datasets held by clients. It has been successfully deployed in practice for developing machine learning models without direct access to user data, which is essential in highly regulated industries such as banking and healthcare (Long et al., 2020; Sadilek et al., 2021).

Adaptive algorithms like AdaGrad and AMSGrad are successful in nonconvex optimization owing to their parameter-agnostic ability -- requiring no a priori knowledge about problem-specific parameters nor tuning of learning rates. However, when it comes to nonconvex minimax optimization, direct extensions of such adaptive optimizers without proper time-scale separation may fail to work in practice. We provide such an example proving that the simple combination of Gradient Descent Ascent (GDA) with adaptive stepsizes can diverge if the primal-dual stepsize ratio is not carefully chosen; hence, a fortiori, such adaptive extensions are not parameter-agnostic. To address the issue, we formally introduce a Nested Adaptive framework, NeAda for short, that carries an inner loop for adaptively maximizing the dual variable with controllable stopping criteria and an outer loop for adaptively minimizing the primal variable. Such mechanism can be equipped with off-the-shelf adaptive optimizers and automatically balance the progress in the primal and dual variables. Theoretically, for nonconvex-strongly-concave minimax problems, we show that NeAda can achieve the near-optimal $\tilde{O}(\epsilon^{-2})$ and $\tilde{O}(\epsilon^{-4})$ gradient complexities respectively in the deterministic and stochastic settings, without prior information on the problem's smoothness and strong concavity parameters. To the best of our knowledge, this is the first algorithm that simultaneously achieves near-optimal convergence rates and parameter-agnostic adaptation in the nonconvex minimax setting. Numerically, we further illustrate the robustness of the NeAda family with experiments on simple test functions and a real-world application.

Accurate localization is a critical requirement for most robotic tasks. The main body of existing work is focused on passive localization in which the motions of the robot are assumed given, abstracting from their influence on sampling informative observations. While recent work has shown the benefits of learning motions to disambiguate the robot's poses, these methods are restricted to granular discrete actions and directly depend on the size of the global map. We propose Active Particle Filter Networks (APFN), an approach that only relies on local information for both the likelihood evaluation as well as the decision making. To do so, we couple differentiable particle filters with a reinforcement learning agent that attends to the most relevant parts of the map. The resulting approach inherits the computational benefits of particle filters and can directly act in continuous action spaces while remaining fully differentiable and thereby end-to-end optimizable as well as agnostic to the input modality. We demonstrate the benefits of our approach with extensive experiments in photorealistic indoor environments built from real-world 3D scanned apartments. Videos and code are available at http://apfn.cs.uni-freiburg.de.

Neural ordinary differential equations (ODEs) have attracted much attention as continuous-time counterparts of deep residual neural networks (NNs), and numerous extensions for recurrent NNs have been proposed. Since the 1980s, ODEs have also been used to derive theoretical results for NN learning rules, e.g., the famous connection between Oja's rule and principal component analysis. Such rules are typically expressed as additive iterative update processes which have straightforward ODE counterparts. Here we introduce a novel combination of learning rules and Neural ODEs to build continuous-time sequence processing nets that learn to manipulate short-term memory in rapidly changing synaptic connections of other nets. This yields continuous-time counterparts of Fast Weight Programmers and linear Transformers. Our novel models outperform the best existing Neural Controlled Differential Equation based models on various time series classification tasks, while also addressing their fundamental scalability limitations.

We prove limitations on what neural networks trained by noisy gradient descent (GD) can efficiently learn. Our results apply whenever GD training is equivariant, which holds for many standard architectures and initializations. As applications, (i) we characterize the functions that fully-connected networks can weak-learn on the binary hypercube and unit sphere, demonstrating that depth-2 is as powerful as any other depth for this task; (ii) we extend the merged-staircase necessity result for learning with latent low-dimensional structure [ABM22] to beyond the mean-field regime. Under cryptographic assumptions, we also show hardness results for learning with fully-connected networks trained by stochastic gradient descent (SGD).

The discovery of novel inhibitor molecules for emerging drug-target proteins is widely acknowledged as a challenging inverse design problem: Exhaustive exploration of the vast chemical search space is impractical, especially when the target structure or active molecules are unknown. Here we validate experimentally the broad utility of a deep generative framework trained at-scale on protein sequences, small molecules, and their mutual interactions -- that is unbiased toward any specific target. As demonstrators, we consider two dissimilar and relevant SARS-CoV-2 targets: the main protease and the spike protein (receptor binding domain, RBD). To perform target-aware design of novel inhibitor molecules, a protein sequence-conditioned sampling on the generative foundation model is performed. Despite using only the target sequence information, and without performing any target-specific adaptation of the generative model, micromolar-level inhibition was observed in in vitro experiments for two candidates out of only four synthesized for each target. The most potent spike RBD inhibitor also exhibited activity against several variants in live virus neutralization assays. These results therefore establish that a single, broadly deployable generative foundation model for accelerated hit discovery is effective and efficient, even in the most general case where neither target structure nor binder information is available.