Samuel Stocksieker, Denys Pommeret

Traditional correlation measures, such as Pearson’s and Spearman’s coefficients, are limited in their ability to capture complex relationships, particularly nonlinear and multivariate dependencies. The Hirschfeld–Gebelein–Rényi (HGR) maximal correlation offers a powerful alternative by seeking the highest Pearson correlation attainable through nonlinear transformations of two random variables. However, estimating the HGR remains challenging due to the complexity of optimizing arbitrary nonlinear functions. We introduce a new coefficient inspired by the HGR but grounded in the Spearman rank correlation, which we call the Spearman HGR (SHGR). We propose a neural network-based estimator tailored to (i) bivariate correlation matrix, (ii) multivariate correlations between a set of variables and another one, and (iii) full correlation between two sets of variables. The SHGR satisfies Rényi’s axioms, effectively detects nonlinear dependencies, and demonstrates robustness to noise, outliers, and spurious correlations (hallucinations). Additionally, it achieves competitive computational efficiency through tailored neural architectures. Comprehensive Numerical experiments and feature selection tasks confirm that SHGR outperforms existing state-of-the-art methods.

Xiangning Chen, Ruochen Wang, Minhao Cheng, Xiaocheng Tang, Cho-Jui Hsieh

This paper proposes a novel differentiable architecture search method by formulating it into a distribution learning problem. We treat the continuously relaxed architecture mixing weight as random variables, modeled by Dirichlet distribution. With recently developed pathwise derivatives, the Dirichlet parameters can be easily optimized with gradient-based optimizer in an end-to-end manner. This formulation improves the generalization ability and induces stochasticity that naturally encourages exploration in the search space. Furthermore, to alleviate the large memory consumption of differentiable NAS, we propose a simple yet effective progressive learning scheme that enables searching directly on large-scale tasks, eliminating the gap between search and evaluation phases. Extensive experiments demonstrate the effectiveness of our method. Specifically, we obtain a test error of 2.46\% for CIFAR-10, 23.7\% for ImageNet under the mobile setting. On NAS-Bench-201, we also achieve state-of-the-art results on all three datasets and provide insights for the effective design of neural architecture search algorithms.

David Lindner, Rohin Shah, Pieter Abbeel, Anca Dragan

Since reward functions are hard to specify, recent work has focused on learning policies from human feedback. However, such approaches are impeded by the expense of acquiring such feedback. Recent work proposed that agents have access to a source of information that is effectively free: in any environment that humans have acted in, the state will already be optimized for human preferences, and thus an agent can extract information about what humans want from the state. Such learning is possible in principle, but requires simulating all possible past trajectories that could have led to the observed state. This is feasible in gridworlds, but how do we scale it to complex tasks? In this work, we show that by combining a learned feature encoder with learned inverse models, we can enable agents to simulate human actions backwards in time to infer what they must have done. The resulting algorithm is able to reproduce a specific skill in MuJoCo environments given a single state sampled from the optimal policy for that skill.

Gergely Neu, Nneka Okolo

We study offline Reinforcement Learning in large infinite-horizon discounted Markov Decision Processes (MDPs) when the reward and transition models are linearly realizable under a known feature map. Starting from the classic linear-program formulation of the optimal control problem in MDPs, we develop a new algorithm that performs a form of gradient ascent in the space of feature occupancies, defined as the expected feature vectors that can potentially be generated by executing policies in the environment. We show that the resulting simple algorithm satisfies strong computational and sample complexity guarantees, achieved under the least restrictive data coverage assumptions known in the literature. In particular, we show that the sample complexity of our method scales optimally with the desired accuracy level and depends on a weak notion of coverage that only requires the empirical feature covariance matrix to cover a single direction in the feature space (as opposed to covering a full subspace). Additionally, our method can be implemented efficiently without requiring any computational oracles, and requires no prior knowledge of the coverage ratio (or even an upper bound on it), which altogether make it the strongest known algorithm for this setting to date.

Kevin Lu, Aditya Grover, Pieter Abbeel, Igor Mordatch

The objective of \textit{lifelong} reinforcement learning (RL) is to optimize agents which can continuously adapt and interact in changing environments. However, current RL approaches fail drastically when environments are non-stationary and interactions are non-episodic. We propose \textit{Lifelong Skill Planning} (LiSP), an algorithmic framework for lifelong RL based on planning in an abstract space of higher-order skills. We learn the skills in an unsupervised manner using intrinsic rewards and plan over the learned skills using a learned dynamics model. Moreover, our framework permits skill discovery even from offline data, thereby reducing the need for excessive real-world interactions. We demonstrate empirically that LiSP successfully enables long-horizon planning and learns agents that can avoid catastrophic failures even in challenging non-stationary and non-episodic environments derived from gridworld and MuJoCo benchmarks.

Giambattista Parascandolo, Alexander Neitz, Antonio Orvieto, Luigi Gresele, Bernhard Schölkopf

In this paper, we investigate the principle that good explanations are hard to vary in the context of deep learning. We show that averaging gradients across examples -- akin to a logical OR of patterns -- can favor memorization and `patchwork' solutions that sew together different strategies, instead of identifying invariances. To inspect this, we first formalize a notion of consistency for minima of the loss surface, which measures to what extent a minimum appears only when examples are pooled. We then propose and experimentally validate a simple alternative algorithm based on a logical AND, that focuses on invariances and prevents memorization in a set of real-world tasks. Finally, using a synthetic dataset with a clear distinction between invariant and spurious mechanisms, we dissect learning signals and compare this approach to well-established regularizers.

Wenhan Xiong, Xiang Li, Srini Iyer, Jingfei Du, Patrick Lewis, William Yang Wang, Yashar Mehdad, Scott Yih, Sebastian Riedel, Douwe Kiela, Barlas Oguz

We propose a simple and efficient multi-hop dense retrieval approach for answering complex open-domain questions, which achieves state-of-the-art performance on two multi-hop datasets, HotpotQA and multi-evidence FEVER. Contrary to previous work, our method does not require access to any corpus-specific information, such as inter-document hyperlinks or human-annotated entity markers, and can be applied to any unstructured text corpus. Our system also yields a much better efficiency-accuracy trade-off, matching the best published accuracy on HotpotQA while being 10 times faster at inference time.

Yao, Yunzhi, Zhang, Ningyu, Xi, Zekun, Wang, Mengru, Xu, Ziwen, Deng, Shumin, Chen, Huajun

The remarkable capabilities of modern large language models are rooted in their vast repositories of knowledge encoded within their parameters, enabling them to perceive the world and engage in reasoning. The inner workings of how these models store knowledge have long been a subject of intense interest and investigation among researchers. To date, most studies have concentrated on isolated components within these models, such as the Multilayer Perceptrons and attention head. In this paper, we delve into the computation graph of the language model to uncover the knowledge circuits that are instrumental in articulating specific knowledge. The experiments, conducted with GPT2 and TinyLLAMA, has allowed us to observe how certain information heads, relation heads, and Multilayer Perceptrons collaboratively encode knowledge within the model. Moreover, we evaluate the impact of current knowledge editing techniques on these knowledge circuits, providing deeper insights into the functioning and constraints of these editing methodologies. Finally, we utilize knowledge circuits to analyze and interpret language model behaviors such as hallucinations and in-context learning. We believe the knowledge circuit holds potential for advancing our understanding of Transformers and guiding the improved design of knowledge editing.

Masahiro Kato, Shinji Ito

We investigate the \emphlinear contextual bandit problem with independent and identically distributed (i.i.d.) contexts. In this problem, we aim to develop a \emphBest-of-Both-Worlds (BoBW) algorithm with regret upper bounds in both stochastic and adversarial regimes. We develop an algorithm based on \emphFollow-The-Regularized-Leader (FTRL) with Tsallis entropy, referred to as the $\alpha$-\emphLinear-Contextual (LC)-Tsallis-INF. We show that its regret is at most $O(łog(T))$ in the stochastic regime under the assumption that the suboptimality gap is uniformly bounded from below, and at most $O(\text{sqrtT})$ in the adversarial regime. Furthermore, our regret analysis is extended to more general regimes characterized by the \emphmargin condition with a parameter $\beta ın(1,ınfty]$, which imposes a milder assumption on the suboptimality gap than in previous studies. We show that the proposed algorithm achieves $Ołeft(łog(T{)}^{\frac{1}{+}}\beta 2+\beta T^{\frac{1}{2}}+\beta \mathring{ı}ght)$ regret under the margin condition.

Zharmagambetov, Arman, Amos, Brandon, Ferber, Aaron, Huang, Taoan, Dilkina, Bistra, Tian, Yuandong

Recent works in learning-integrated optimization have shown promise in settings where the optimization problem is only partially observed or where general-purpose optimizers perform poorly without expert tuning. By learning an optimizer $\mathbf{g}$ to tackle these challenging problems with $f$ as the objective, the optimization process can be substantially accelerated by leveraging past experience. The optimizer can be trained with supervision from known optimal solutions or implicitly by optimizing the compound function $f\circ \mathbf{g}$. The implicit approach may not require optimal solutions as labels and is capable of handling problem uncertainty; however, it is slow to train and deploy due to frequent calls to optimizer $\mathbf{g}$ during both training and testing. The training is further challenged by sparse gradients of $\mathbf{g}$, especially for combinatorial solvers. To address these challenges, we propose using a smooth and learnable **Landscape Surrogate** $\mathcal{M}$ as a replacement for $f\circ \mathbf{g}$. This surrogate, learnable by neural networks, can be computed faster than the solver $\mathbf{g}$, provides dense and smooth gradients during training, can generalize to unseen optimization problems, and is efficiently learned via alternating optimization. We test our approach on both synthetic problems, including shortest path and multidimensional knapsack, and real-world problems such as portfolio optimization, achieving comparable or superior objective values compared to state-of-the-art baselines while reducing the number of calls to $\mathbf{g}$. Notably, our approach outperforms existing methods for computationally expensive high-dimensional problems.

Yulin Wang, Zanlin Ni, Shiji Song, Le Yang, Gao Huang

Due to the need to store the intermediate activations for back-propagation, end-to-end (E2E) training of deep networks usually suffers from high GPUs memory footprint. This paper aims to address this problem by revisiting the locally supervised learning, where a network is split into gradient-isolated modules and trained with local supervision. We experimentally show that simply training local modules with E2E loss tends to collapse task-relevant information at early layers, and hence hurts the performance of the full model. To avoid this issue, we propose an information propagation (InfoPro) loss, which encourages local modules to preserve as much useful information as possible, while progressively discard task-irrelevant information. As InfoPro loss is difficult to compute in its original form, we derive a feasible upper bound as a surrogate optimization objective, yielding a simple but effective algorithm. In fact, we show that the proposed method boils down to minimizing the combination of a reconstruction loss and a normal cross-entropy/contrastive term. Extensive empirical results on five datasets (i.e., CIFAR, SVHN, STL-10, ImageNet and Cityscapes) validate that InfoPro is capable of achieving competitive performance with less than 40% memory footprint compared to E2E training, while allowing using training data with higher-resolution or larger batch sizes under the same GPU memory constraint. Our method also enables training local modules asynchronously for potential training acceleration.

Atsushi Nitanda, Taiji Suzuki

We analyze the convergence of the averaged stochastic gradient descent for overparameterized two-layer neural networks for regression problems. It was recently found that a neural tangent kernel (NTK) plays an important role in showing the global convergence of gradient-based methods under the NTK regime, where the learning dynamics for overparameterized neural networks can be almost characterized by that for the associated reproducing kernel Hilbert space (RKHS). However, there is still room for a convergence rate analysis in the NTK regime. In this study, we show that the averaged stochastic gradient descent can achieve the minimax optimal convergence rate, with the global convergence guarantee, by exploiting the complexities of the target function and the RKHS associated with the NTK. Moreover, we show that the target function specified by the NTK of a ReLU network can be learned at the optimal convergence rate through a smooth approximation of a ReLU network under certain conditions.

Ankur Nath, Alan Kuhnle

Modern instances of combinatorial optimization problems often exhibit billion-scale ground sets, which have many uninformative or redundant elements. In this work, we develop light-weight pruning algorithms to quickly discard elements that are unlikely to be part of an optimal solution. Under mild assumptions on the instance, we prove theoretical guarantees on the fraction of the optimal value retained and the size of the resulting pruned ground set. Through extensive experiments on real-world datasets for various applications, we demonstrate that our algorithm, QuickPrune, efficiently prunes over 90% of the ground set and outperforms state-of-the-art classical and machine learning heuristics for pruning.

Stankeviciute, Kamile, M. Alaa, Ahmed, van der Schaar, Mihaela

Current approaches for multi-horizon time series forecasting using recurrent neural networks (RNNs) focus on issuing point estimates, which is insufficient for decision-making in critical application domains where an uncertainty estimate is also required. Existing approaches for uncertainty quantification in RNN-based time-series forecasts are limited as they may require significant alterations to the underlying model architecture, may be computationally complex, may be difficult to calibrate, may incur high sample complexity, and may not provide theoretical guarantees on frequentist coverage. In this paper, we extend the inductive conformal prediction framework to the time-series forecasting setup, and propose a lightweight algorithm to address all of the above limitations, providing uncertainty estimates with theoretical guarantees for any multi-horizon forecast predictor and any dataset with minimal exchangeability assumptions. We demonstrate the effectiveness of our approach by comparing it with existing benchmarks on a variety of synthetic and real-world datasets.

Yutong Xie, Chence Shi, Hao Zhou, Yuwei Yang, Weinan Zhang, Yong Yu, Lei Li

Searching for novel molecules with desired chemical properties is crucial in drug discovery. Existing work focuses on developing neural models to generate either molecular sequences or chemical graphs. However, it remains a big challenge to find novel and diverse compounds satisfying several properties. In this paper, we propose MARS, a method for multi-objective drug molecule discovery. MARS is based on the idea of generating the chemical candidates by iteratively editing fragments of molecular graphs. To search for high-quality candidates, it employs Markov chain Monte Carlo sampling (MCMC) on molecules with an annealing scheme and an adaptive proposal. To further improve sample efficiency, MARS uses a graph neural network (GNN) to represent and select candidate edits, where the GNN is trained on-the-fly with samples from MCMC. Experiments show that MARS achieves state-of-the-art performance in various multi-objective settings where molecular bio-activity, drug-likeness, and synthesizability are considered. Remarkably, in the most challenging setting where all four objectives are simultaneously optimized, our approach outperforms previous methods significantly in comprehensive evaluations. The code is available at https://github.com/yutxie/mars.

Qian Huang, Horace He, Abhay Singh, Ser-Nam Lim, Austin Benson

Graph Neural Networks (GNNs) are a predominant technique for learning over graphs. However, there is relatively little understanding of why GNNs are successful in practice and whether they are necessary for good performance. Here, we show that for many standard transductive node classification benchmarks, we can exceed or match the performance of state-of-the-art GNNs by combining shallow models that ignore the graph structure with two simple post-processing steps that exploit correlation in the label structure: (i) an “error correlation” that spreads residual errors in training data to correct errors in test data and (ii) a “prediction correlation” that smooths the predictions on the test data. We call this overall procedure Correct and Smooth (C&S), and the post-processing steps are implemented via simple modifications to standard label propagation techniques that have long been used in graph-based semi-supervised learning. Our approach exceeds or nearly matches the performance of state-of-the-art GNNs on a wide variety of benchmarks, with just a small fraction of the parameters and orders of magnitude faster runtime. For instance, we exceed the best-known GNN performance on the OGB-Products dataset with 137 times fewer parameters and greater than 100 times less training time. The performance of our methods highlights how directly incorporating label information into the learning algorithm (as is common in traditional methods) yields easy and substantial performance gains. We can also incorporate our techniques into big GNN models, providing modest gains in some cases.

Javier Antoran, Umang Bhatt, Tameem Adel, Adrian Weller, José Miguel Hernández-Lobato

Both uncertainty estimation and interpretability are important factors for trustworthy machine learning systems. However, there is little work at the intersection of these two areas. We address this gap by proposing a novel method for interpreting uncertainty estimates from differentiable probabilistic models, like Bayesian Neural Networks (BNNs). Our method, Counterfactual Latent Uncertainty Explanations (CLUE), indicates how to change an input, while keeping it on the data manifold, such that a BNN becomes more confident about the input's prediction. We validate CLUE through 1) a novel framework for evaluating counterfactual explanations of uncertainty, 2) a series of ablation experiments, and 3) a user study. Our experiments show that CLUE outperforms baselines and enables practitioners to better understand which input patterns are responsible for predictive uncertainty.

Shibani Santurkar, Dimitris Tsipras, Aleksander Madry

We develop a methodology for assessing the robustness of models to subpopulation shift---specifically, their ability to generalize to novel data subpopulations that were not observed during training. Our approach leverages the class structure underlying existing datasets to control the data subpopulations that comprise the training and test distributions. This enables us to synthesize realistic distribution shifts whose sources can be precisely controlled and characterized, within existing large-scale datasets. Applying this methodology to the ImageNet dataset, we create a suite of subpopulation shift benchmarks of varying granularity. We then validate that the corresponding shifts are tractable by obtaining human baselines. Finally, we utilize these benchmarks to measure the sensitivity of standard model architectures as well as the effectiveness of existing train-time robustness interventions.

Carles Domingo-Enrich, Fabian Pedregosa, Damien Scieur

Advances in generative modeling and adversarial learning have given rise to renewed interest in smooth games. However, the absence of symmetry in the matrix of second derivatives poses challenges that are not present in the classical minimization framework. While a rich theory of average-case analysis has been developed for minimization problems, little is known in the context of smooth games. In this work we take a first step towards closing this gap by developing average-case optimal first-order methods for a subset of smooth games. We make the following three main contributions. First, we show that for zero-sum bilinear games the average-case optimal method is the optimal method for the minimization of the Hamiltonian. Second, we provide an explicit expression for the optimal method corresponding to normal matrices, potentially non-symmetric. Finally, we specialize it to matrices with eigenvalues located in a disk and show a provable speed-up compared to worst-case optimal algorithms. We illustrate our findings through benchmarks with a varying degree of mismatch with our assumptions.

Ignavier Ng, Shaoan Xie, Xinshuai Dong, Peter Spirtes, Kun Zhang

Causal representation learning aims to recover the latent causal variables and their causal relations, typically represented by directed acyclic graphs (DAGs), from low-level observations such as image pixels. A prevailing line of research exploits multiple environments, which assume how data distributions change, including single-node interventions, coupled interventions, or hard interventions, or parametric constraints on the mixing function or the latent causal model, such as linearity. Despite the novelty and elegance of the results, they are often violated in real problems. Accordingly, we formalize a set of desiderata for causal representation learning that applies to a broader class of environments, referred to as general environments. Interestingly, we show that one can fully recover the latent DAG and identify the latent variables up to minor indeterminacies under a nonparametric mixing function and nonlinear latent causal models, such as additive (Gaussian) noise models or heteroscedastic noise models, by properly leveraging sufficient change conditions on the causal mechanisms up to third-order derivatives. These represent, to our knowledge, the first results to fully recover the latent DAG from general environments under nonparametric mixing. Notably, our results are stronger than many existing works, but require less restrictive assumptions about changing environments.

Lunde, Robert, Sarkar, Purnamrita, Ward, Rachel

We consider the problem of quantifying uncertainty for the estimation error of the leading eigenvector from Oja's algorithm for streaming principal component analysis, where the data are generated IID from some unknown distribution. By combining classical tools from the U-statistics literature with recent results on high-dimensional central limit theorems for quadratic forms of random vectors and concentration of matrix products, we establish a weighted ${\chi }^2$ approximation result for the ${\sin }^2$ error between the population eigenvector and the output of Oja’s algorithm. Since estimating the covariance matrix associated with the approximating distribution requires knowledge of unknown model parameters, we propose a multiplier bootstrap algorithm that may be updated in an online manner. We establish conditions under which the bootstrap distribution is close to the corresponding sampling distribution with high probability, thereby establishing the bootstrap as a consistent inferential method in an appropriate asymptotic regime.

Byeonghu Na, Minsang Park, Gyuwon Sim, Donghyeok Shin, HeeSun Bae, Mina Kang, Se Jung Kwon, Wanmo Kang, Il-chul Moon

Text-to-image diffusion models rely on text embeddings from a pre-trained text encoder, but these embeddings remain fixed across all diffusion timesteps, limiting their adaptability to the generative process. We propose Diffusion Adaptive Text Embedding (DATE), which dynamically updates text embeddings at each diffusion timestep based on intermediate perturbed data. We formulate an optimization problem and derive an update rule that refines the text embeddings at each sampling step to improve alignment and preference between the mean predicted image and the text. This allows DATE to dynamically adapts the text conditions to the reverse-diffused images throughout diffusion sampling without requiring additional model training. Through theoretical analysis and empirical results, we show that DATE maintains the generative capability of the model while providing superior text-image alignment over fixed text embeddings across various tasks, including multi-concept generation and text-guided image editing. Our code is available at https://github.com/aailab-kaist/DATE.

Lei Chen, Zhengdao Chen, Joan Bruna

From the perspectives of expressive power and learning, this work compares multi-layer Graph Neural Networks (GNNs) with a simplified alternative that we call Graph-Augmented Multi-Layer Perceptrons (GA-MLPs), which first augments node features with certain multi-hop operators on the graph and then applies learnable node-wise functions. From the perspective of graph isomorphism testing, we show both theoretically and numerically that GA-MLPs with suitable operators can distinguish almost all non-isomorphic graphs, just like the Weisfeiler-Lehman (WL) test and GNNs. However, by viewing them as node-level functions and examining the equivalence classes they induce on rooted graphs, we prove a separation in expressive power between GA-MLPs and GNNs that grows exponentially in depth. In particular, unlike GNNs, GA-MLPs are unable to count the number of attributed walks. We also demonstrate via community detection experiments that GA-MLPs can be limited by their choice of operator family, whereas GNNs have higher flexibility in learning.

Kai Yuanqing Xiao, Logan Engstrom, Andrew Ilyas, Aleksander Madry

We assess the tendency of state-of-the-art object recognition models to depend on signals from image backgrounds. We create a toolkit for disentangling foreground and background signal on ImageNet images, and find that (a) models can achieve non-trivial accuracy by relying on the background alone, (b) models often misclassify images even in the presence of correctly classified foregrounds--up to 88% of the time with adversarially chosen backgrounds, and (c) more accurate models tend to depend on backgrounds less. Our analysis of backgrounds brings us closer to understanding which correlations machine learning models use, and how they determine models' out of distribution performance.

Changhao Shi, Chester Holtz, Gal Mishne

Deep neural networks are known to be vulnerable to adversarial examples, where a perturbation in the input space leads to an amplified shift in the latent network representation. In this paper, we combine canonical supervised learning with self-supervised representation learning, and present Self-supervised Online Adversarial Purification (SOAP), a novel defense strategy that uses a self-supervised loss to purify adversarial examples at test-time. Our approach leverages the label-independent nature of self-supervised signals and counters the adversarial perturbation with respect to the self-supervised tasks. SOAP yields competitive robust accuracy against state-of-the-art adversarial training and purification methods, with considerably less training complexity. In addition, our approach is robust even when adversaries are given the knowledge of the purification defense strategy. To the best of our knowledge, our paper is the first that generalizes the idea of using self-supervised signals to perform online test-time purification.

Alspector, Joshua, Allen, Robert, Jayakumar, Anthony, Zeppenfeld, Torsten, Meir, Ronny

Feedback connections are required so that the teacher signal on the output neurons can modify weights during supervised learning. Relaxation methods are needed for learning static patterns with full-time feedback connections. Feedback network learning techniques have not achieved wide popularity because of the still greater computational efficiency of back-propagation. We show by simulation that relaxation networks of the kind we are implementing in VLSI are capable of learning large problems just like back-propagation networks. A microchip incorporates deterministic mean-field theory learning as well as stochastic Boltzmann learning. A multiple-chip electronic system implementing these networks will make high-speed parallel learning in them feasible in the future.

Senjian An, Farid Boussaid, Mohammed Bennamoun

This paper investigates how hidden layers of deep rectifier networks are capable of transforming two or more pattern sets to be linearly separable while preserving the distances with a guaranteed degree, and proves the universal classification power of such distance preserving rectifier networks. Through the nearly isometric nonlinear transformation in the hidden layers, the margin of the linear separating plane in the output layer and the margin of the nonlinear separating boundary in the original data space can be closely related so that the maximum margin classification in the input data space can be achieved approximately via the maximum margin linear classifiers in the output layer. The generalization performance of such distance preserving deep rectifier neural networks can be well justified by the distance-preserving properties of their hidden layers and the maximum margin property of the linear classifiers in the output layer.

Kileel, Joe, Klock, Timo, M Pereira, João

In this work, we consider the optimization formulation for symmetric tensor decomposition recently introduced in the Subspace Power Method (SPM) of Kileel and Pereira. Unlike popular alternative functionals for tensor decomposition, the SPM objective function has the desirable properties that its maximal value is known in advance, and its global optima are exactly the rank-1 components of the tensor when the input is sufficiently low-rank. We analyze the non-convex optimization landscape associated with the SPM objective. Our analysis accounts for working with noisy tensors. We derive quantitative bounds such that any second-order critical point with SPM objective value exceeding the bound must equal a tensor component in the noiseless case, and must approximate a tensor component in the noisy case. For decomposing tensors of size $D^{\times m}$, we obtain a near-global guarantee up to rank $\tilde{o}(D^{\lfloor m/2\rfloor })$ under a random tensor model, and a global guarantee up to rank $\mathcal{O}(D)$ assuming deterministic frame conditions. This implies that SPM with suitable initialization is a provable, efficient, robust algorithm for low-rank symmetric tensor decomposition. We conclude with numerics that show a practical preferability for using the SPM functional over a more established counterpart.

Dan Hendrycks, Collin Burns, Steven Basart, Andrew Critch, Jerry Li, Dawn Song, Jacob Steinhardt

We show how to assess a language model's knowledge of basic concepts of morality. We introduce the ETHICS dataset, a new benchmark that spans concepts in justice, well-being, duties, virtues, and commonsense morality. Models predict widespread moral judgments about diverse text scenarios. This requires connecting physical and social world knowledge to value judgements, a capability that may enable us to steer chatbot outputs or eventually regularize open-ended reinforcement learning agents. With the ETHICS dataset, we find that current language models have a promising but incomplete ability to predict basic human ethical judgements. Our work shows that progress can be made on machine ethics today, and it provides a steppingstone toward AI that is aligned with human values.

Aditya Krishna Menon, Ankit Singh Rawat, Sanjiv Kumar

Overparameterised neural networks have demonstrated the remarkable ability to perfectly fit training samples, while still generalising to unseen test samples. However, several recent works have revealed that such models' good average performance does not always translate to good worst-case performance: in particular, they may perform poorly on subgroups that are under-represented in the training set. In this paper, we show that in certain settings, overparameterised models' performance on under-represented subgroups may be improved via post-hoc processing. Specifically, such models' bias can be restricted to their classification layers, and manifest as structured prediction shifts for rare subgroups. We detail two post-hoc correction techniques to mitigate this bias, which operate purely on the outputs of standard model training. We empirically verify that with such post-hoc correction, overparameterisation can improve average and worst-case performance.

Amirkeivan Mohtashami, Martin Jaggi, Sebastian Stich

When training neural networks, it has been widely observed that a large step size is essential in stochastic gradient descent (SGD) for obtaining superior models. However, the effect of large step sizes on the success of SGD is not well understood theoretically. Several previous works have attributed this success to the stochastic noise present in SGD. However, we show through a novel set of experiments that the stochastic noise is not sufficient to explain good non-convex training, and that instead the effect of a large learning rate itself is essential for obtaining best performance.We demonstrate the same effects also in the noise-less case, i.e. for full-batch GD. We formally prove that GD with large step size ---on certain non-convex function classes --- follows a different trajectory than GD with a small step size, which can lead to convergence to a global minimum instead of a local one. Our settings provide a framework for future analysis which allows comparing algorithms based on behaviors that can not be observed in the traditional settings.

Santiago Mazuelas, Veronica Alvarez

Boosting methods often achieve excellent classification accuracy, but can experience notable performance degradation in the presence of label noise. Existing robust methods for boosting provide theoretical robustness guarantees for certain types of label noise, and can exhibit only moderate performance degradation. However, previous theoretical results do not account for realistic types of noise and finite training sizes, and existing robust methods can provide unsatisfactory accuracies, even without noise. This paper presents methods for robust minimax boosting (RMBoost) that minimize worst-case error probabilities and are robust to general types of label noise. In addition, we provide finite-sample performance guarantees for RMBoost with respect to the error obtained without noise and with respect to the best possible error (Bayes risk). The experimental results corroborate that RMBoost is not only resilient to label noise but can also provide strong classification accuracy.

Ian Gemp, Brian McWilliams, Claire Vernade, Thore Graepel

We present a novel view on principal components analysis as a competitive game in which each approximate eigenvector is controlled by a player whose goal is to maximize their own utility function. We analyze the properties of this PCA game and the behavior of its gradient based updates. The resulting algorithm---which combines elements from Oja's rule with a generalized Gram-Schmidt orthogonalization---is naturally decentralized and hence parallelizable through message passing. We demonstrate the scalability of the algorithm with experiments on large image datasets and neural network activations. We discuss how this new view of PCA as a differentiable game can lead to further algorithmic developments and insights.

Yangchen Pan, Kirby Banman, Martha White

Recent work has shown that sparse representations---where only a small percentage of units are active---can significantly reduce interference. Those works, however, relied on relatively complex regularization or meta-learning approaches, that have only been used offline in a pre-training phase. In this work, we pursue a direction that achieves sparsity by design, rather than by learning. Specifically, we design an activation function that produces sparse representations deterministically by construction, and so is more amenable to online training. The idea relies on the simple approach of binning, but overcomes the two key limitations of binning: zero gradients for the flat regions almost everywhere, and lost precision---reduced discrimination---due to coarse aggregation. We introduce a Fuzzy Tiling Activation (FTA) that provides non-negligible gradients and produces overlap between bins that improves discrimination. We first show that FTA is robust under covariate shift in a synthetic online supervised learning problem, where we can vary the level of correlation and drift. Then we move to the deep reinforcement learning setting and investigate both value-based and policy gradient algorithms that use neural networks with FTAs, in classic discrete control and Mujoco continuous control environments. We show that algorithms equipped with FTAs are able to learn a stable policy faster without needing target networks on most domains.

Xuanlin Li, Brandon Trabucco, Dong Huk Park, Michael Luo, Sheng Shen, Trevor Darrell, Yang Gao

The predominant approach for language modeling is to encode a sequence of tokens from left to right, but this eliminates a source of information: the order by which the sequence was naturally generated. One strategy to recover this information is to decode both the content and ordering of tokens. Some prior work supervises content and ordering with hand-designed loss functions to encourage specific orders or bootstraps from a predefined ordering. These approaches require domain-specific insight. Other prior work searches over valid insertion operations that lead to ground truth sequences during training, which has high time complexity and cannot be efficiently parallelized. We address these limitations with an unsupervised learner that can be trained in a fully-parallelizable manner to discover high-quality autoregressive orders in a data driven way without a domain-specific prior. The learner is a neural network that performs variational inference with the autoregressive ordering as a latent variable. Since the corresponding variational lower bound is not differentiable, we develop a practical algorithm for end-to-end optimization using policy gradients. Strong empirical results with our solution on sequence modeling tasks suggest that our algorithm is capable of discovering various autoregressive orders for different sequences that are competitive with or even better than fixed orders.

Sachdeva, Noveen, Dhaliwal, Mehak, Wu, Carole-Jean, Mcauley, Julian

We leverage the Neural Tangent Kernel and its equivalence to training infinitely-wide neural networks to devise $\infty$-AE: an autoencoder with infinitely-wide bottleneck layers. The outcome is a highly expressive yet simplistic recommendation model with a single hyper-parameter and a closed-form solution. Leveraging $\infty$-AE's simplicity, we also develop Distill-CF for synthesizing tiny, high-fidelity data summaries which distill the most important knowledge from the extremely large and sparse user-item interaction matrix for efficient and accurate subsequent data-usage like model training, inference, architecture search, etc. This takes a data-centric approach to recommendation, where we aim to improve the quality of logged user-feedback data for subsequent modeling, independent of the learning algorithm. We particularly utilize the concept of differentiable Gumbel-sampling to handle the inherent data heterogeneity, sparsity, and semi-structuredness, while being scalable to datasets with hundreds of millions of user-item interactions. Both of our proposed approaches significantly outperform their respective state-of-the-art and when used together, we observe $96-105$% of $\infty$-AE's performance on the full dataset with as little as $0.1$% of the original dataset size, leading us to explore the counter-intuitive question: Is more data what you need for better recommendation?

Valeriia Cherepanova, Micah Goldblum, Harrison Foley, Shiyuan Duan, John P Dickerson, Gavin Taylor, Tom Goldstein

Facial recognition systems are increasingly deployed by private corporations, government agencies, and contractors for consumer services and mass surveillance programs alike. These systems are typically built by scraping social media profiles for user images. Adversarial perturbations have been proposed for bypassing facial recognition systems. However, existing methods fail on full-scale systems and commercial APIs. We develop our own adversarial filter that accounts for the entire image processing pipeline and is demonstrably effective against industrial-grade pipelines that include face detection and large scale databases. Additionally, we release an easy-to-use webtool that significantly degrades the accuracy of Amazon Rekognition and the Microsoft Azure Face Recognition API, reducing the accuracy of each to below 1%.

Parjanya Prajakta Prashant, Seyedeh Baharan Khatami, Bruno Ribeiro, Babak Salimi

We consider the task of out-of-distribution (OOD) generalization, where the distribution shift is due to an unobserved confounder ($Z$) affecting both the covariates ($X$) and the labels ($Y$). This confounding introduces heterogeneity in the predictor, i.e., $P(Y\mid X)=E_P(Z\mid X)[P(Y\mid X,Z)]$, making traditional covariate and label shift assumptions unsuitable. OOD generalization differs from traditional domain adaptation in that it does not assume access to the covariate distribution ($X^{\text{textte}}$) of the test samples during training. These conditions create a challenging scenario for OOD robustness: (a) $Z^{\text{texttr}}$ is an unobserved confounder during training, (b) $P^{\text{textte}}(Z)\ne P^{\text{texttr}}(Z)$, (c) $X^{\text{textte}}$ is unavailable during training, and (d) the predictive distribution depends on $P^{\text{textte}}(Z)$. While prior work has developed complex predictors requiring multiple additional variables for identifiability of the latent distribution, we explore a set of identifiability assumptions that yield a surprisingly simple predictor using only a single additional variable. Our approach demonstrates superior empirical performance on several benchmark tasks.

Litao Guo, Xinli Xu, Luozhou Wang, Jiantao Lin, Jinsong Zhou, Zixin Zhang, Bolan Su, Yingcong Chen

With the rapid advancement of generative models, general-purpose generation has gained increasing attention as a promising approach to unify diverse tasks across modalities within a single system. Despite this progress, existing open-source frameworks often remain fragile and struggle to support complex real-world applications due to the lack of structured workflow planning and execution-level feedback. To address these limitations, we present ComfyMind, a collaborative AI system designed to enable robust and scalable general-purpose generation, built on the ComfyUI platform. ComfyMind introduces two core innovations: Semantic Workflow Interface (SWI) that abstracts low-level node graphs into callable functional modules described in natural language, enabling high-level composition and reducing structural errors; Search Tree Planning mechanism with localized feedback execution, which models generation as a hierarchical decision process and allows adaptive correction at each stage. Together, these components improve the stability and flexibility of complex generative workflows. We evaluate ComfyMind on three public benchmarks: ComfyBench, GenEval, and Reason-Edit, which span generation, editing, and reasoning tasks. Results show that ComfyMind consistently outperforms existing open-source baselines and achieves performance comparable to GPT-Image-1. ComfyMind paves a promising path for the development of open-source general-purpose generative AI systems.

Jake Snell, Richard Zemel

Few-shot classification (FSC), the task of adapting a classifier to unseen classes given a small labeled dataset, is an important step on the path toward human-like machine learning. Bayesian methods are well-suited to tackling the fundamental issue of overfitting in the few-shot scenario because they allow practitioners to specify prior beliefs and update those beliefs in light of observed data. Contemporary approaches to Bayesian few-shot classification maintain a posterior distribution over model parameters, which is slow and requires storage that scales with model size. Instead, we propose a Gaussian process classifier based on a novel combination of Pólya-Gamma augmentation and the one-vs-each softmax approximation that allows us to efficiently marginalize over functions rather than model parameters. We demonstrate improved accuracy and uncertainty quantification on both standard few-shot classification benchmarks and few-shot domain transfer tasks.

Sejun Park, Chulhee Yun, Jaeho Lee, Jinwoo Shin

The universal approximation property of width-bounded networks has been studied as a dual of classical universal approximation results on depth-bounded networks. However, the critical width enabling the universal approximation has not been exactly characterized in terms of the input dimension $d_x$ and the output dimension $d_y$. In this work, we provide the first definitive result in this direction for networks using the ReLU activation functions: The minimum width required for the universal approximation of the $L^p$ functions is exactly $\max \{d_x+1,d_y\}$. We also prove that the same conclusion does not hold for the uniform approximation with ReLU, but does hold with an additional threshold activation function. Our proof technique can be also used to derive a tighter upper bound on the minimum width required for the universal approximation using networks with general activation functions.

Alexey Dosovitskiy, Lucas Beyer, Alexander Kolesnikov, Dirk Weissenborn, Xiaohua Zhai, Thomas Unterthiner, Mostafa Dehghani, Matthias Minderer, Georg Heigold, Sylvain Gelly, Jakob Uszkoreit, Neil Houlsby

While the Transformer architecture has become the de-facto standard for natural language processing tasks, its applications to computer vision remain limited. In vision, attention is either applied in conjunction with convolutional networks, or used to replace certain components of convolutional networks while keeping their overall structure in place. We show that this reliance on CNNs is not necessary and a pure transformer applied directly to sequences of image patches can perform very well on image classification tasks. When pre-trained on large amounts of data and transferred to multiple mid-sized or small image recognition benchmarks (ImageNet, CIFAR-100, VTAB, etc.), Vision Transformer (ViT) attains excellent results compared to state-of-the-art convolutional networks while requiring substantially fewer computational resources to train.

Lan, Guanghui, Li, Zhize, Zhou, Yi

We propose a novel randomized incremental gradient algorithm, namely, VAriance-Reduced Accelerated Gradient (Varag), for finite-sum optimization. Equipped with a unified step-size policy that adjusts itself to the value of the conditional number, Varag exhibits the unified optimal rates of convergence for solving smooth convex finite-sum problems directly regardless of their strong convexity. Moreover, Varag is the first accelerated randomized incremental gradient method that benefits from the strong convexity of the data-fidelity term to achieve the optimal linear convergence. It also establishes an optimal linear rate of convergence for solving a wide class of problems only satisfying a certain error bound condition rather than strong convexity. Varag can also be extended to solve stochastic finite-sum problems.

Michael Sejr Schlichtkrull, Nicola De Cao, Ivan Titov

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs (e.g. syntactic trees or co-reference structures) contribute to a prediction. In this work, we introduce a post-hoc method for interpreting the predictions of GNNs which identifies unnecessary edges. Given a trained GNN model, we learn a simple classifier that, for every edge in every layer, predicts if that edge can be dropped. We demonstrate that such a classifier can be trained in a fully differentiable fashion, employing stochastic gates and encouraging sparsity through the expected $L_0$ norm. We use our technique as an attribution method to analyze GNN models for two tasks -- question answering and semantic role labeling -- providing insights into the information flow in these models. We show that we can drop a large proportion of edges without deteriorating the performance of the model, while we can analyse the remaining edges for interpreting model predictions.

Xiaobo Xia, Tongliang Liu, Bo Han, Chen Gong, Nannan Wang, Zongyuan Ge, Yi Chang

The \textit{memorization effects} of deep networks show that they will first memorize training data with clean labels and then those with noisy labels. The \textit{early stopping} method therefore can be exploited for learning with noisy labels. However, the side effect brought by noisy labels will influence the memorization of clean labels before early stopping. In this paper, motivated by the \textit{lottery ticket hypothesis} which shows that only partial parameters are important for generalization, we find that only partial parameters are important for fitting clean labels and generalize well, which we term as \textit{critical parameters}; while the other parameters tend to fit noisy labels and cannot generalize well, which we term as \textit{non-critical parameters}. Based on this, we propose \textit{robust early-learning} to reduce the side effect of noisy labels before early stopping and thus enhance the memorization of clean labels. Specifically, in each iteration, we divide all parameters into the critical and non-critical ones, and then perform different update rules for different types of parameters. Extensive experiments on benchmark-simulated and real-world label-noise datasets demonstrate the superiority of the proposed method over the state-of-the-art label-noise learning methods.

Jeongyeol Kwon, Luke Dotson, Yudong Chen, Qiaomin Xie

Previous studies on two-timescale stochastic approximation (SA) mainly focused on bounding mean-squared errors under diminishing stepsize schemes. In this work, we investigate ıt constant stpesize schemes through the lens of Markov processes, proving that the iterates of both timescales converge to a unique joint stationary distribution in Wasserstein metric. We derive explicit geometric and non-asymptotic convergence rates, as well as the variance and bias introduced by constant stepsizes in the presence of Markovian noise. Specifically, with two constant stepsizes $\alpha <\beta$, we show that the biases scale linearly with both stepsizes as $\Theta (\alpha )+\Theta (\beta )$ up to higher-order terms, while the variance of the slower iterate (resp., faster iterate) scales only with its own stepsize as $O(\alpha )$ (resp., $O(\beta )$). Unlike previous work, our results require no additional assumptions such as ${\beta }^2łl\alpha$ nor extra dependence on dimensions. These fine-grained characterizations allow tail-averaging and extrapolation techniques to reduce variance and bias, improving mean-squared error bound to $O({\beta }^4+\frac{1}{t})$ for both iterates.

Yahel David, Nahum Shimkin

We consider the Max K-Armed Bandit problem, where a learning agent is faced with several stochastic arms, each a source of i.i.d. rewards of unknown distribution. At each time step the agent chooses an arm, and observes the reward of the obtained sample. Each sample is considered here as a separate item with the reward designating its value, and the goal is to find an item with the highest possible value. Our basic assumption is a known lower bound on the \em tail function of the reward distributions. Under the PAC framework, we provide a lower bound on the sample complexity of any (ε,δ)-correct algorithm, and propose an algorithm that attains this bound up to logarithmic factors. We provide an analysis of the robustness of the proposed algorithm to the model assumptions, and further compare its performance to the simple non-adaptive variant, in which the arms are chosen randomly at each stage.

Markus Norman Rabe, Dennis Lee, Kshitij Bansal, Christian Szegedy

We demonstrate that self-supervised language modeling applied to mathematical formulas enables logical reasoning. To measure the logical reasoning abilities of language models, we formulate several evaluation (downstream) tasks, such as inferring types, suggesting missing assumptions and completing equalities. For training language models for formal mathematics, we propose a novel skip-tree task. We find that models trained on the skip-tree task show surprisingly strong mathematical reasoning abilities, and outperform models trained on standard skip-sequence tasks. We also analyze the models' ability to formulate new conjectures by measuring how often the predictions are provable and useful in other proofs.

Giora Simchoni, Saharon Rosset

We introduce copula-based neural networks (COPNN), a novel framework that extends beyond the limitations of Gaussian marginals for random effects in mixed models. COPNN integrates the flexibility of Gaussian copulas in capturing rich dependence structures with arbitrary marginal distributions, with the expressive power of deep neural networks (DNN), allowing it to model large non-Gaussian data in both regression and classification settings, while using batch learning and stochastic gradient descent. Unlike traditional linear and non-linear mixed models, which assume Gaussianity for random effects, COPNN leverages copulas to decouple the marginal distribution from the dependence structure, caused by spatial, temporal and high-cardinality categorical features. This is achieved by minimizing a batch negative log-likelihood (NLL) loss in the continuous case, and a batch negative pairwise log-likelihood in the binary case. We demonstrate COPNN’s effectiveness through extensive experiments on both simulated and real datasets. COPNN reduces NLL and MSE in the regression setting, and improves predictive accuracy in the classification setting, compared to previous state of the art methods which integrate random effects into DNN. Our real-world experiments, conducted on datasets from automotive pricing and retail traffic forecasting, further validate COPNN’s ability to improve performance over traditional methods for dealing with high-cardinality categorical features.

Roh, Yuji, Lee, Kangwook, Whang, Steven, Suh, Changho

Fairness and robustness are critical elements of Trustworthy AI that need to be addressed together. Fairness is about learning an unbiased model while robustness is about learning from corrupted data, and it is known that addressing only one of them may have an adverse affect on the other. In this work, we propose a sample selection-based algorithm for fair and robust training. To this end, we formulate a combinatorial optimization problem for the unbiased selection of samples in the presence of data corruption. Observing that solving this optimization problem is strongly NP-hard, we propose a greedy algorithm that is efficient and effective in practice. Experiments show that our method obtains fairness and robustness that are better than or comparable to the state-of-the-art technique, both on synthetic and benchmark real datasets. Moreover, unlike other fair and robust training baselines, our algorithm can be used by only modifying the sampling step in batch selection without changing the training algorithm or leveraging additional clean data.