mtybilly/Instruct2DS huggingface dataset:
Learning Uncertainty for Unknown Domains with Zero-Target-Assumption
Authors: Hassan Sajjad, Jia Xu Yu Yu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We introduce our Maximum-Entropy Rewarded Reinforcement Learning (MERRL) framework that selects training data for more accurate Natural Language Processing (NLP). Because conventional data selection methods select training samples based on the test domain knowledge and not on real life data,  they frequently fail in unknown domains like patent and Twitter. 
Our approach selects training samples that maximize information uncertainty measured by entropy, including observation entropy like empirical Shannon entropy, Min-entropy, R\'enyi entropy, and prediction entropy using mutual information, to cover more possible queries that may appear in unknown worlds. Our MERRL using regularized A2C and SAC achieves up to -99.7 perplexity decrease (-43.4\% relatively) in language modeling, +25.0 accuracy increase (+40.0\% relatively) in sentiment analysis, and +5.0 F1 score increase (+30.8\% relatively) in named entity recognition over various domains, demonstrating strong generalization power on unknown test sets.
Protein Sequence and Structure Co-Design with Equivariant Translation
Authors: Chuanrui Wang, Jiarui Lu, Bozitao Zhong, Jian Tang Chence Shi
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Proteins are macromolecules that perform essential functions in all living organisms. Designing novel proteins with specific structures and desired functions has been a long-standing challenge in the field of bioengineering. Existing approaches generate both protein sequence and structure using either autoregressive models or diffusion models, both of which suffer from high inference costs. In this paper, we propose a new approach capable of protein sequence and structure co-design, which iteratively translates both protein sequence and structure into the desired state from random initialization, based on context features given a priori. Our model consists of a trigonometry-aware encoder that reasons geometrical constraints and interactions from context features, and a roto-translation equivariant decoder that translates protein sequence and structure interdependently. Notably, all protein amino acids are updated in one shot in each translation step, which significantly accelerates the inference process. Experimental results across multiple tasks show that our model outperforms previous state-of-the-art baselines by a large margin, and is able to design proteins of high fidelity as regards both sequence and structure, with running time orders of magnitude less than sampling-based methods.
Beyond Lipschitz: Sharp Generalization and Excess Risk Bounds for Full-Batch GD
Authors: Farzin Haddadpour, Amin Karbasi, Dionysios Kalogerias Konstantinos Nikolakakis
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We provide sharp path-dependent generalization and excess risk guarantees for the full-batch Gradient Descent (GD) algorithm on smooth losses (possibly non-Lipschitz, possibly nonconvex). At the heart of our analysis is an upper bound on the generalization error, which implies that average output stability and a bounded expected optimization error at termination lead to generalization. This result shows that a small generalization error occurs along the optimization path, and allows us to bypass Lipschitz or sub-Gaussian assumptions on the loss prevalent in previous works. For nonconvex, convex, and strongly convex losses, we show the explicit dependence of the generalization error in terms of the accumulated path-dependent optimization error, terminal optimization error, number of samples, and number of iterations. For nonconvex smooth losses, we prove that full-batch GD efficiently generalizes close to any stationary point at termination, and recovers the generalization error guarantees of stochastic algorithms with fewer assumptions. For smooth convex losses, we show that the generalization error is tighter than existing bounds for SGD (up to one order of error magnitude). Consequently the excess risk matches that of SGD for quadratically less iterations. Lastly, for strongly convex smooth losses, we show that full-batch GD achieves essentially the same excess risk rate as compared with the state of the art on SGD, but with an exponentially smaller number of iterations (logarithmic in the dataset size).
Everybody Needs Good Neighbours: An Unsupervised Locality-based Method for Bias Mitigation
Authors: Timothy Baldwin, Trevor Cohn Xudong Han
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Learning models from human behavioural data often leads to outputs that are biased with respect to user demographics, such as gender or race. This effect can be controlled by explicit mitigation methods, but this typically presupposes access to demographically-labelled training data. Such data is often not available, motivating the need for unsupervised debiasing methods. To this end, we propose a new meta-algorithm for debiasing representation learning models, which combines the notions of data locality and accuracy of model fit, such that a supervised debiasing method can optimise fairness between neighbourhoods of poorly vs. well modelled instances as identified by our method. Results over five datasets, spanning natural language processing and structured data classification tasks, show that our technique recovers proxy labels that correlate with unknown demographic data, and that our method outperforms all unsupervised baselines, while also achieving competitive performance with state-of-the-art supervised methods which are given access to demographic labels.
A GNN-Guided Predict-and-Search Framework for Mixed-Integer Linear Programming
Authors: Linxin Yang, Qian Chen, Xiang Zhou, Dong Zhang, Akang Wang, Ruoyu Sun, Xiaodong Luo Qingyu Han
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Mixed-integer linear programming (MILP) is widely employed for modeling combinatorial optimization problems. In practice, similar MILP instances with only coefficient variations are routinely solved, and machine learning (ML) algorithms are capable of capturing common patterns across these MILP instances. In this work, we combine ML with optimization and propose a novel predict-and-search framework for efficiently identifying high-quality feasible solutions. Specifically, we first utilize graph neural networks to predict the marginal probability of each variable, and then search for the best feasible solution within a properly defined ball around the predicted solution. We conduct extensive experiments on public datasets, and computational results demonstrate that our proposed framework achieves 51.1% and 9.9% performance improvements to MILP solvers SCIP and Gurobi on primal gaps, respectively.
Combinatorial Pure Exploration of Causal Bandits
Authors: Wei Chen Nuoya Xiong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The combinatorial pure exploration of causal bandits is the following online learning task: given a causal graph with unknown causal inference distributions, in each round we choose a subset of variables to intervene or do no intervention, and observe the random outcomes of all random variables, with the goal that using as few rounds as possible, we can output an intervention that gives the best (or almost best) expected outcome on the reward variable $Y$ with probability at least $1-\delta$, where $\delta$ is a given confidence level. We provide the first gap-dependent and fully adaptive pure exploration algorithms on two types of causal models --- the binary generalized linear model (BGLM) and general graphs. For BGLM, our algorithm is the first to be designed specifically for this setting and achieves polynomial sample complexity, while all existing algorithms for general graphs have either sample complexity exponential to the graph size or some unreasonable assumptions. For general graphs, our algorithm provides a significant improvement on sample complexity, and it nearly matches the lower bound we prove. Our algorithms achieve such improvement by a novel integration of prior causal bandit algorithms and prior adaptive pure exploration algorithms, the former of which utilize the rich observational feedback in causal bandits but are not adaptive to reward gaps, while the latter of which have the issue in reverse.
Scalable Subset Sampling with Neural Conditional Poisson Networks
Authors: Phillip Lippe, Efstratios Gavves Adeel Pervez
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: A number of problems in learning can be formulated in terms of the basic primitive of sampling $k$ elements out of a universe of $n$ elements. This subset sampling operation cannot directly be included in differentiable models and approximations are essential. Current approaches take an \emph{order sampling} approach to sampling subsets and depend on differentiable approximations of the Top-$k$ operator for selecting the largest $k$ elements from a set. We present a simple alternative method for sampling subsets based on \emph{conditional Poisson sampling}. Unlike order sampling approaches, the parallel complexity of the proposed method is independent of the subset size which makes the method scalable to large subset sizes. We adapt the procedure to make it efficient and amenable to discrete gradient approximations for use in differentiable models. Furthermore, the method also allows the subset size parameter $k$ to be differentiable. We demonstrate our approach on model explanation, image sub-sampling and stochastic $k$-nearest neighbor tasks outperforming existing methods in accuracy, efficiency and scalability.
Neural Architecture Design and Robustness: A Dataset
Authors: Jovita Lukasik, Margret Keuper Steffen Jung
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Deep learning models have proven to be successful in a wide range of machine learning tasks. Yet, they are often highly sensitive to perturbations on the input data which can lead to incorrect decisions with high confidence, hampering their deployment for practical use-cases. Thus, finding architectures that are (more) robust against perturbations has received much attention in recent years. Just like the search for well-performing architectures in terms of clean accuracy, this usually involves a tedious trial-and-error process with one additional challenge: the evaluation of a network's robustness is significantly more expensive than its evaluation for clean accuracy. Thus, the aim of this paper is to facilitate better streamlined research on architectural design choices with respect to their impact on robustness as well as, for example, the evaluation of surrogate measures for robustness. We therefore borrow one of the most commonly considered search spaces for neural architecture search for image classification, NAS-Bench-201, which contains a manageable size of 6466 non-isomorphic network designs. We evaluate all these networks on a range of common adversarial attacks and corruption types and introduce a database on neural architecture design and robustness evaluations. We further present three exemplary use cases of this dataset, in which we (i) benchmark robustness measurements based on Jacobian and Hessian matrices for their robustness predictability, (ii) perform neural architecture search on robust accuracies, and (iii) provide an initial analysis of how architectural design choices affect robustness. We find that carefully crafting the topology of a network can have substantial impact on its robustness, where networks with the same parameter count range in mean adversarial robust accuracy from 20%-41%. Code and data is available at http://robustness.vision/.
DensePure: Understanding Diffusion Models for Adversarial Robustness
Authors: Zhongzhu Chen, Kun Jin, Jiongxiao Wang, Weili Nie, Mingyan Liu, Anima Anandkumar, Bo Li, Dawn Song Chaowei Xiao
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Diffusion models have been recently employed to  improve certified robustness through the process of denoising.  However, the theoretical understanding of why diffusion models are able to improve the certified robustness is still lacking, preventing from further improvement.  In this study, we close this gap by analyzing the fundamental properties of diffusion models and  establishing the conditions under which they can enhance certified robustness. This deeper understanding allows us to propose a new method   DensePure,  designed to improve the certified robustness of a pretrained model (i.e. classifier).   Given an (adversarial) input, DensePure consists of multiple runs of denoising via the reverse process of the diffusion model (with different random seeds) to get multiple reversed samples, which are then passed through the classifier, followed by majority voting of inferred labels to make the final prediction.  This design of using multiple runs of denoising is informed by our theoretical analysis of the conditional distribution of the reversed  sample. Specifically, when the data density of a clean sample is high, its conditional density under the reverse process in a diffusion model is also high;  thus sampling from the latter conditional distribution can purify the adversarial example and return the corresponding clean sample with a high probability. By using the highest density point in the conditional distribution as the reversed sample, we identify the robust region of a given instance under the diffusion model's reverse process. We show that this robust region is a union of multiple convex sets, and is potentially much larger than the robust regions identified in previous works. In practice, DensePure can approximate the label of the high density region in the conditional distribution so that it can enhance certified robustness. We conduct extensive experiments to demonstrate the effectiveness of DensePure by evaluating its certified robustness  given a standard model via randomized smoothing. We show that DensePure is consistently better than existing methods on ImageNet, with 7% improvement on average.
One-Pixel Shortcut: On the Learning Preference of Deep Neural Networks
Authors: Sizhe Chen, Cihang Xie, Xiaolin Huang Shutong Wu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Unlearnable examples (ULEs) aim to protect data from unauthorized usage for training DNNs. Existing work adds $\ell_\infty$-bounded perturbations to the original sample so that the trained model generalizes poorly. Such perturbations, however, are easy to eliminate by adversarial training and data augmentations. In this paper, we resolve this problem from a novel perspective by perturbing only one pixel in each image. Interestingly, such a small modification could effectively degrade model accuracy to almost an untrained counterpart. Moreover, our produced \emph{One-Pixel Shortcut (OPS)} could not be erased by adversarial training and strong augmentations. To generate OPS, we perturb in-class images at the same position to the same target value that could mostly and stably deviate from all the original images. Since such generation is only based on images, OPS needs significantly less computation cost than the previous methods using DNN generators. Based on OPS, we introduce an unlearnable dataset called CIFAR-10-S, which is indistinguishable from CIFAR-10 by humans but induces the trained model to extremely low accuracy. Even under adversarial training, a ResNet-18 trained on CIFAR-10-S has only 10.61% accuracy, compared to 83.02% by the existing error-minimizing method.
Understanding Edge-of-Stability Training Dynamics with a Minimalist Example
Authors: Zixuan Wang, Xiang Wang, Mo Zhou, Rong Ge Xingyu Zhu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Recently, researchers observed that gradient descent for deep neural networks operates in an ``edge-of-stability'' (EoS) regime: the sharpness (maximum eigenvalue of the Hessian) is often larger than stability threshold $2/\eta$ (where $\eta$ is the step size). Despite this, the loss oscillates and converges in the long run, and the sharpness at the end is just slightly below $2/\eta$. While many other well-understood nonconvex objectives such as matrix factorization or two-layer networks can also converge despite large sharpness, there is often a larger gap between sharpness of the endpoint and $2/\eta$. In this paper, we study EoS phenomenon by constructing a simple function that has the same behavior. We give rigorous analysis for its training dynamics in a large local region and explain why the final converging point has sharpness close to $2/\eta$. Globally we observe that the training dynamics for our example has an interesting bifurcating behavior, which was also observed in the training of neural nets.
Quantile Risk Control: A Flexible Framework for Bounding the Probability of High-Loss Predictions
Authors: Thomas P Zollo, Zhun Deng, Toniann Pitassi, Richard Zemel Jake Snell
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Rigorous guarantees about the performance of predictive algorithms are necessary in order to ensure their responsible use. Previous work has largely focused on bounding the expected loss of a predictor, but this is not sufficient in many risk-sensitive applications where the distribution of errors is important. In this work, we propose a flexible framework to produce a family of bounds on quantiles of the loss distribution incurred by a predictor. Our method takes advantage of the order statistics of the observed loss values rather than relying on the sample mean alone. We show that a quantile is an informative way of quantifying predictive performance, and that our framework applies to a variety of quantile-based metrics, each targeting important subsets of the data distribution. We analyze the theoretical properties of our proposed method and demonstrate its ability to rigorously control loss quantiles on several real-world datasets.
What Can we Learn From The Selective Prediction And Uncertainty Estimation Performance Of 523 Imagenet Classifiers?
Authors: Mohammed Dabbah, Ran El-Yaniv Ido Galil
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: When deployed for risk-sensitive tasks, deep neural networks must include an uncertainty estimation mechanism.
Here we examine the relationship between deep architectures and their respective training regimes, with their corresponding selective prediction and uncertainty estimation performance. We consider some of the most popular estimation performance metrics previously proposed including AUROC, ECE, AURC as well as coverage for selective accuracy constraint. 
We present a novel and comprehensive study of selective prediction and the uncertainty estimation performance of 523 existing pretrained deep ImageNet classifiers that are available in popular repositories.
We identify numerous and previously unknown factors that affect uncertainty estimation and examine the relationships between the different metrics. We find that distillation-based training regimes consistently yield better uncertainty estimations than other training schemes such as vanilla training, pretraining on a larger dataset and adversarial training.
Moreover, we find a subset of ViT models that outperform any other models in terms of uncertainty estimation performance.
For example, we discovered an unprecedented 99% top-1 selective accuracy on ImageNet at 47% coverage
(and 95% top-1 accuracy at 80%) for a ViT model, whereas a competing EfficientNet-V2-XL cannot obtain these accuracy constraints at any level of coverage. 
Our companion paper, also published in ICLR 2023 (A framework for benchmarking class-out-of-distribution detection and its application to ImageNet), examines the performance of these classifiers in a class-out-of-distribution setting.
Model ensemble instead of prompt fusion: a sample-specific knowledge transfer method for few-shot prompt tuning
Authors: Chen Xing, Prafulla Kumar Choubey, Chien-Sheng Wu, Caiming Xiong XIANGYU PENG
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Prompt tuning approaches, which learn task-specific soft prompts for a downstream task conditioning on frozen pre-trained models, have attracted growing interest due to its parameter efficiency. With large language models and sufficient training data, prompt tuning performs comparably to full-model tuning. However, with limited training samples in few-shot settings, prompt tuning fails to match the performance of full-model fine-tuning. In this work, we focus on improving the few-shot performance of prompt tuning by transferring knowledge from soft prompts of source tasks with abundant training samples. Recognizing the good generalization capabilities of ensemble methods in low-data regime, we first experiment and show that a simple ensemble of model predictions based on different source prompts, outperforms existing multi-prompt knowledge transfer approaches such as source prompt fusion in the few-shot setting. Motivated by this observation, we further investigate model ensembles and  propose Sample-specific Ensemble of Source Models (SESoM). SESoM learns to adjust the contribution of each source model for each target sample separately when ensembling source model outputs. Through this way, SESoM inherits the superior generalization of ensemble methods and simultaneously captures the sample-specific competence of each source prompt.  We conduct experiments across a diverse set of eight NLP tasks using models of different scales (T5-\{base, large, XL\}) and find that SESoM consistently outperforms the existing models of the same as well as larger parametric scale by a large margin.
KwikBucks: Correlation Clustering with Cheap-Weak and Expensive-Strong Signals
Authors: Sara Ahmadian, Andrew Nystrom, Andrew McCallum, Deepak Ramachandran, Seyed Mehran Kazemi Sandeep Silwal
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: The unprecedented rate at which the sizes of machine learning (ML) models are growing necessitates novel approaches to enable efficient and scalable solutions. We contribute to this line of work by studying a novel version of the Budgeted Correlation Clustering problem (\bcc) where along with a limited number of queries to an expensive oracle for node similarities (e.g. a large ML model), we have unlimited access to a cheaper but less accurate second oracle. Our formulation is inspired by many practical scenarios where coarse approximations of the expensive similarity metric can be efficiently obtained via weaker models. We develop a theoretically motivated algorithm in this setting that leverages the cheap oracle to judiciously query the strong oracle while maintaining high clustering quality. We empirically demonstrate gains in query minimization and clustering metrics on a variety of datasets with diverse strong and cheap oracles. Most notably, we demonstrate a practical application in text clustering based on expensive cross-attention language models by showing that cheaper (but weaker) embedding-based models can be leveraged to substantially reduce the number of inference calls to the former.
$\Lambda$-DARTS: Mitigating Performance Collapse by Harmonizing Operation Selection among Cells
Authors: Melika Adabinejad, Ayyoob Imani, Arezou Keshavarz, Mostafa Dehghani, Azadeh Shakery, Babak N Araabi Sajad Movahedi
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Differentiable neural architecture search (DARTS) is a popular method for neural architecture search (NAS), which performs cell-search and utilizes continuous relaxation to improve the search efficiency via gradient-based optimization. The main shortcoming of DARTS is performance collapse, where the discovered architecture suffers from a pattern of declining quality during search. Performance collapse has become an important topic of research, with many methods trying to solve the issue through either regularization or fundamental changes to DARTS.
However, the weight-sharing framework used for cell-search in DARTS and the convergence of architecture parameters has not been analyzed yet. In this paper, we provide a thorough and novel theoretical and empirical analysis on DARTS and its point of convergence.
We show that DARTS suffers from a specific structural flaw due to its weight-sharing framework that limits the convergence of DARTS to saturation points of the softmax function. This point of convergence gives an unfair advantage to layers closer to the output in choosing the optimal architecture, causing performance collapse. We then propose two new regularization terms that aim to prevent performance collapse by harmonizing operation selection via aligning gradients of layers. 
Experimental results on six different search spaces and three different datasets show that our method ($\Lambda$-DARTS) does indeed prevent performance collapse, providing justification for our theoretical analysis and the proposed remedy.
Exploring the Limits of Differentially Private Deep Learning with Group-wise Clipping
Authors: Xuechen Li, Da Yu, Huishuai Zhang, Janardhan Kulkarni, Yin Tat Lee, Arturs Backurs, Nenghai Yu, Jiang Bian Jiyan He
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Differentially private deep learning has recently witnessed advances in computational efficiency and privacy-utility trade-off. We explore whether further improvements along the two axes are possible and provide affirmative answers leveraging two instantiations of \emph{group-wise clipping}.  To reduce the compute time overhead of private learning, we show that \emph{per-layer clipping}, where the gradient of each neural network layer is clipped separately, allows clipping to be performed in conjunction with backpropagation in differentially private optimization. This results in private learning that is as memory-efficient and almost as fast per training update as non-private learning for many workflows of interest.  While per-layer clipping with constant thresholds tends to underperform standard flat clipping, per-layer clipping with adaptive thresholds matches or outperforms flat clipping under given training epoch constraints, hence attaining similar or better task performance within less wall time. To explore the limits of scaling (pretrained) models in differentially private deep learning, we privately fine-tune the 175 billion-parameter GPT-3.  We bypass scaling challenges associated with clipping gradients that are distributed across multiple devices with \emph{per-device clipping} that clips the gradient of each model piece separately on its host device. Privately fine-tuning GPT-3 with per-device clipping achieves a task performance at $\epsilon=1$ better than what is attainable by non-privately fine-tuning the largest GPT-2 on a summarization task.
Pitfalls of Gaussians as a noise distribution in NCE
Authors: Chirag Pabbaraju, Anish Prasad Sevekari, Andrej Risteski Holden Lee
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Noise Contrastive Estimation (NCE) is a popular approach for learning probability density functions parameterized up to a constant of proportionality. The main idea is to design a classification problem for distinguishing training data from samples from an (easy-to-sample) noise distribution $q$, in a manner that avoids having to calculate a partition function. It is well-known that the choice of $q$ can severely impact the computational and statistical efficiency of NCE. In practice, a common choice for $q$ is a Gaussian which matches the mean and covariance of the data.

In this paper, we show that such a choice can result in an exponentially bad (in the ambient dimension) conditioning of the Hessian of the loss - even for very simple data distributions. As a consequence, both the statistical and algorithmic complexity for such a choice of $q$ will be problematic in practice - suggesting that more complex noise distributions are essential to the success of NCE.
Where to Diffuse, How to Diffuse, and How to Get Back: Automated Learning for Multivariate Diffusions
Authors: Mark Goldstein, Rajesh Ranganath Raghav Singhal
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Diffusion-based generative models (DBGMs) perturb data to a target noise distribution and reverse this process to generate samples.  The choice of noising process, or inference diffusion process, affects both likelihoods and sample quality. For example, extending the inference process with auxiliary variables leads to improved sample quality. While there are many such multivariate diffusions to explore, each new one requires significant model-specific analysis, hindering rapid prototyping and evaluation. In this work, we study Multivariate Diffusion Models (MDMs). For any number of auxiliary variables, we provide a recipe for maximizing a lower-bound on the MDMs likelihood without requiring any model-specific analysis. We then demonstrate how to parameterize the diffusion for a specified target noise distribution; these two points together enable optimizing the inference diffusion process. Optimizing the diffusion expands easy experimentation from just a few well-known processes to an automatic search over all linear diffusions. To demonstrate these ideas, we introduce two new specific diffusions as well as learn a diffusion process on the MNIST, CIFAR10, and ImageNet32 datasets. We show learned MDMs match or surpass bits-per-dims (BPDs) relative to fixed choices of diffusions for a given dataset and model architecture.
Scaling Laws For Deep Learning Based Image Reconstruction
Authors: Reinhard Heckel Tobit Klug
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Deep neural networks trained end-to-end to map a measurement of a (noisy) image to a clean image perform excellent for a variety of linear inverse problems. 
Current methods are only trained on a few hundreds or thousands of images as opposed to the millions of examples deep networks are trained on in other domains. 
In this work, we study whether major performance gains are expected from scaling up the training set size.
We consider image denoising, accelerated magnetic resonance imaging, and super-resolution and empirically determine the reconstruction quality as a function of training set size, while simultaneously scaling the network size.  
For all three tasks we find that an initially steep power-law scaling slows significantly already at moderate training set sizes. 
Interpolating those scaling laws suggests that even training on millions of images would not significantly improve performance. 
To understand the expected behavior, we analytically characterize the performance of a linear estimator learned with early stopped gradient descent. 
The result formalizes the intuition that once the error induced by learning the signal model is small relative to the error floor, more training examples do not improve performance.
Summarization Programs: Interpretable Abstractive Summarization with Neural Modular Trees
Authors: Shiyue Zhang, Peter Hase, Mohit Bansal Swarnadeep Saha
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Current abstractive summarization models either suffer from a lack of clear interpretability or provide incomplete rationales by only highlighting parts of the source document. To this end, we propose the Summarization Program (SP), an interpretable modular framework consisting of an (ordered) list of binary trees, each encoding the step-by-step generative process of an abstractive summary sentence from the source document. A Summarization Program contains one root node per summary sentence, and a distinct tree connects each summary sentence (root node) to the document sentences (leaf nodes) from which it is derived, with the connecting nodes containing intermediate generated sentences. Edges represent different modular operations involved in summarization such as sentence fusion, compression, and paraphrasing. We first propose an efficient best-first search method over neural modules, SP-Search that identifies SPs for human summaries by directly optimizing for ROUGE scores. Next, using these programs as automatic supervision, we propose seq2seq models that generate Summarization Programs, which are then executed to obtain final summaries. We demonstrate that SP-Search effectively represents the generative process behind human summaries using modules that are typically faithful to their intended behavior. We also conduct a simulation study to show that Summarization Programs improve the interpretability of summarization models by allowing humans to better simulate model reasoning. Summarization Programs constitute a promising step toward interpretable and modular abstractive summarization, a complex task previously addressed primarily through blackbox end-to-end neural systems.
Clifford Neural Layers for PDE Modeling
Authors: Rianne van den Berg, Max Welling, Jayesh K Gupta Johannes Brandstetter
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Partial differential equations (PDEs) see widespread use in sciences and engineering to describe simulation of physical processes as scalar and vector fields interacting and coevolving over time. Due to the computationally expensive nature of their standard solution methods, neural PDE surrogates have become an active research topic to accelerate these simulations. However, current methods do not explicitly take into account the relationship between different fields and their internal components, which are often correlated. Viewing the time evolution of such correlated fields through the lens of multivector fields allows us to overcome these limitations. Multivector fields consist of scalar, vector, as well as higher-order components, such as bivectors and trivectors. Their algebraic properties, such as multiplication, addition and other arithmetic operations can be described by Clifford algebras. To our knowledge, this paper presents the first usage of such multivector representations together with Clifford convolutions and Clifford Fourier transforms in the context of deep learning. The resulting Clifford neural layers are universally applicable and will find direct use in the areas of fluid dynamics, weather forecasting, and the modeling of physical systems in general. We empirically evaluate the benefit of Clifford neural layers by replacing convolution and Fourier operations in common neural PDE surrogates by their Clifford counterparts on 2D Navier-Stokes and weather modeling tasks, as well as 3D Maxwell equations. For similar parameter count, Clifford neural layers consistently improve generalization capabilities of the tested neural PDE surrogates.
Concept-level Debugging of Part-Prototype Networks
Authors: Stefano Teso, Katya Tentori, Fausto Giunchiglia, Andrea Passerini Andrea Bontempelli
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Part-prototype Networks (ProtoPNets) are concept-based classifiers designed to achieve the same performance as black-box models without compromising transparency. ProtoPNets compute predictions based on similarity to class-specific part-prototypes learned to recognize parts of training examples, making it easy to faithfully determine what examples are responsible for any target prediction and why. However, like other models, they are prone to picking up confounders and shortcuts from the data, thus suffering from compromised prediction accuracy and limited generalization. We propose ProtoPDebug, an effective concept-level debugger for ProtoPNets in which a human supervisor, guided by the model’s explanations, supplies feedback in the form of what part-prototypes must be forgotten or kept, and the model is fine-tuned to align with this supervision. Our experimental evaluation shows that ProtoPDebug outperforms state-of-the-art debuggers for a fraction of the annotation cost. An online experiment with laypeople confirms the simplicity of the feedback requested to the users and the effectiveness of the collected feedback for learning confounder-free part-prototypes. ProtoPDebug is a promising tool for trustworthy interactive learning in critical applications, as suggested by a preliminary evaluation on a medical decision making task.
Minimum Description Length Control
Authors: Ta-Chu Kao, Maneesh Sahani, Matthew Botvinick Ted Moskovitz
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We propose a novel framework for multitask reinforcement learning based on the minimum description length (MDL) principle. In this approach, which we term MDL-control (MDL-C), the agent learns the common structure among the tasks with which it is faced and then distills it into a simpler representation which facilitates faster convergence and generalization to new tasks. In doing so, MDL-C naturally balances adaptation to each task with epistemic uncertainty about the task distribution. We motivate MDL-C via formal connections between the MDL principle and Bayesian inference, derive theoretical performance guarantees, and demonstrate MDL-C's empirical effectiveness on both discrete and high-dimensional continuous control tasks.
PiFold: Toward effective and efficient protein inverse folding
Authors: Cheng Tan, Stan Z. Li Zhangyang Gao
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: How can we design protein sequences folding into the desired structures effectively and efficiently? AI methods for structure-based protein design have attracted increasing attention in recent years; however, few methods can simultaneously improve the accuracy and efficiency due to the lack of expressive features and autoregressive sequence decoder. To address these issues, we propose PiFold, which contains a novel residue featurizer and PiGNN layers to generate protein sequences in a one-shot way with improved recovery. Experiments show that PiFold could achieve 51.66\% recovery on CATH 4.2, while the inference speed is 70 times faster than the autoregressive competitors. In addition, PiFold achieves 58.72\% and 60.42\% recovery scores on TS50 and TS500, respectively. We conduct comprehensive ablation studies to reveal the role of different types of protein features and model designs, inspiring further simplification and improvement. The PyTorch code is available at \href{https://github.com/A4Bio/PiFold}{GitHub}.
Tuning Frequency Bias in Neural Network Training with Nonuniform Data
Authors: Yunan Yang, Alex Townsend Annan Yu
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Small generalization errors of over-parameterized neural networks (NNs) can be partially explained by the frequency biasing phenomenon, where gradient-based algorithms minimize the low-frequency misfit before reducing the high-frequency residuals. Using the Neural Tangent Kernel (NTK), one can provide a theoretically rigorous analysis for training where data are drawn from constant or piecewise-constant probability densities. Since most training data sets are not drawn from such distributions, we use the NTK model and a data-dependent quadrature rule to theoretically quantify the frequency biasing of NN training given fully nonuniform data. By replacing the loss function with a carefully selected Sobolev norm, we can further amplify, dampen, counterbalance, or reverse the intrinsic frequency biasing in NN training.
Share Your Representation Only: Guaranteed Improvement of the Privacy-Utility Tradeoff in Federated Learning
Authors: Jiayuan Ye, Anmin Kang, Hamed Hassani, Reza Shokri Zebang Shen
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Repeated parameter sharing in federated learning causes significant information leakage about private data, thus defeating its main purpose: data privacy.  Mitigating the risk of this information leakage, using state of the art differentially private algorithms, also does not come for free.  Randomized mechanisms can prevent convergence of models on learning even the useful representation functions, especially if there is more disagreement between local models on the classification functions (due to data heterogeneity). In this paper, we consider a representation federated learning objective that encourages various parties to collaboratively refine the consensus part of the model, with differential privacy guarantees, while separately allowing sufficient freedom for local personalization (without releasing it).  We prove that in the linear representation setting, while the objective is non-convex, our proposed new algorithm \DPFEDREP\ converges to a ball centered around the \emph{global optimal} solution at a linear rate, and the radius of the ball is proportional to the reciprocal of the privacy budget.  With this novel utility analysis, we improve the SOTA utility-privacy trade-off for this problem by a factor of $\sqrt{d}$, where $d$ is the input dimension.  We empirically evaluate our method with the image classification task on CIFAR10, CIFAR100, and EMNIST, and observe a significant performance improvement over the prior work under the same small privacy budget. The code can be found in this link, https://github.com/shenzebang/CENTAUR-Privacy-Federated-Representation-Learning.
Stochastic No-regret Learning for General Games with Variance Reduction
Authors: Fang Kong, Shuai Li Yichi Zhou
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: We show that a stochastic version of optimistic mirror descent (OMD), a variant of mirror descent with recency bias, converges fast in general games. More specifically, with our algorithm, the individual regret of each player vanishes at a speed of $O(1/T^{3/4})$ and the sum of all players' regret vanishes at a speed of $O(1/T)$, which is an improvement upon the $O(1/\sqrt{T})$ convergence rate of prior stochastic algorithms, where $T$ is the number of interaction rounds. Due to the advantage of stochastic methods in the computational cost, we significantly improve the time complexity over the deterministic algorithms to approximate coarse correlated equilibrium. To achieve lower time complexity, we equip the stochastic version of OMD in \cite{alacaoglu2021stochastic} with a novel low-variance Monte-Carlo estimator. Our algorithm extends previous works \cite{alacaoglu2021stochastic,carmon2019variance} from two-player zero-sum games to general games.
Asymptotic Instance-Optimal Algorithms for Interactive Decision Making
Authors: Tengyu Ma Kefan Dong
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Past research on interactive decision making problems (bandits, reinforcement learning, etc.) mostly focuses on the minimax regret that measures the algorithm's performance on the hardest instance. However, an ideal algorithm should adapt to the complexity of a particular problem instance and incur smaller regrets on easy instances than worst-case instances. In this paper, we design the first asymptotic instance-optimal algorithm for general interactive decision making problems with finite number of decisions under mild conditions. On every instance $f$, our algorithm outperforms all consistent algorithms (those achieving non-trivial regrets on all instances), and has asymptotic regret $\mathcal{C}(f) \ln n$, where $\mathcal{C}(f)$ is an exact characterization of the complexity of $f$. The key step of the algorithm involves hypothesis testing with active data collection. It computes the most economical decisions with which the algorithm collects observations to test whether an estimated instance is indeed correct; thus, the complexity $\mathcal{C}(f)$ is the minimum cost to test the instance $f$ against other instances.  Our results, instantiated on concrete problems, recover the classical gap-dependent bounds for multi-armed bandits and prior works on linear bandits, and improve upon the previous best instance-dependent upper bound for reinforcement learning.
Proto-Value Networks: Scaling Representation Learning with Auxiliary Tasks
Authors: Joshua Greaves, Rishabh Agarwal, Charline Le Lan, Ross Goroshin, Pablo Samuel Castro, Marc G Bellemare Jesse Farebrother
Published in: International Conference on Learning Representations 2023 (Main Conference Track), 2023

Abstract: Auxiliary tasks improve the representations learned by deep reinforcement learning agents. Analytically, their effect is reasonably well-understood; in practice, how-ever, their primary use remains in support of a main learning objective, rather than as a method for learning representations. This is perhaps surprising given that many auxiliary tasks are defined procedurally, and hence can be treated as an essentially infinite source of information about the environment. Based on this observation, we study the effectiveness of auxiliary tasks for learning rich representations, focusing on the setting where the number of tasks and the size of the agent’s network are simultaneously increased. For this purpose, we derive a new family of auxiliary tasks based on the successor measure. These tasks are easy to implement and have appealing theoretical properties. Combined with a suitable off-policy learning rule, the result is a representation learning algorithm that can be understood as extending Mahadevan & Maggioni (2007)’s proto-value functions to deep reinforcement learning – accordingly, we call the resulting object proto-value networks. Through a series of experiments on the Arcade Learning Environment, we demonstrate that proto-value networks produce rich features that may be used to obtain performance comparable to established algorithms, using only linear approximation and a small number (~4M) of interactions with the environment’s reward function.