We present a new dataset condensation framework termed Squeeze, Recover and Relabel (SRe$^2$L) that decouples the bilevel optimization of model and synthetic data during training, to handle varying scales of datasets, model architectures and image resolutions for efficient dataset condensation. The proposed method demonstrates flexibility across diverse dataset scales and exhibits multiple advantages in terms of arbitrary resolutions of synthesized images, low training cost and memory consumption with high-resolution synthesis, and the ability to scale up to arbitrary evaluation network architectures. Extensive experiments are conducted on Tiny-ImageNet and full ImageNet-1K datasets. Under 50 IPC, our approach achieves the highest 42.5\% and 60.8\% validation accuracy on Tiny-ImageNet and ImageNet-1K, outperforming all previous state-of-the-art methods by margins of 14.5\% and 32.9\%, respectively.

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these network architectures through a local-to-global analysis lacks today. In this paper, we propose a local hierarchy of 3D isomorphism to evaluate the expressive power of equivariant GNNs and investigate the process of representing global geometric information from local patches. Our work leads to two crucial modules for designing expressive and efficient geometric GNNs; namely local substructure encoding (\textbf{LSE}) and frame transition encoding (\textbf{FTE}). To demonstrate the applicability of our theory, we propose LEFTNet which effectively implements these modules and achieves state-of-the-art performance on both scalar-valued and vector-valued molecular property prediction tasks.

We present HUME, a simple model-agnostic framework for inferring human labeling of a given dataset without any external supervision. The key insight behind our approach is that classes defined by many human labelings are linearly separable regardless of the representation space used to represent a dataset. HUME utilizes this insight to guide the search over all possible labelings of a dataset to discover an underlying human labeling. We show that the proposed optimization objective is strikingly well-correlated with the ground truth labeling of the dataset. In effect, we only train linear classifiers on top of pretrained representations that remain fixed during training, making our framework compatible with any large pretrained and self-supervised model. Despite its simplicity, HUME outperforms a supervised linear classifier on top of self-supervised representations on the STL-10 dataset by a large margin and achieves comparable performance on the CIFAR-10 dataset. Compared to the existing unsupervised baselines, HUME achieves state-of-the-art performance on four benchmark image classification datasets including the large-scale ImageNet-1000 dataset. Altogether, our work provides a fundamentally new view to tackle unsupervised learning by searching for consistent labelings between different representation spaces.

In many scientific settings there is a need for adaptive experimental design to guide the process of identifying regions of the search space that contain as many true positives as possible subject to a low rate of false discoveries (i.e.

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in {\it (i)} assessing the progress of new methods along different axes and {\it (ii)} selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (\textit{e.g.} GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (\textit{e.g.} GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Contextual optimization, also known as predict-then-optimize or prescriptive analytics, considers an optimization problem with the presence of covariates (context or side information). The goal is to learn a prediction model (from the training data) that predicts the objective function from the covariates, and then in the test phase, solve the optimization problem with the covariates but without the observation of the objective function. In this paper, we consider a risk-sensitive version of the problem and propose a generic algorithm design paradigm called predict-then-calibrate. The idea is to first develop a prediction model without concern for the downstream risk profile or robustness guarantee, and then utilize calibration (or recalibration) methods to quantify the uncertainty of the prediction. While the existing methods suffer from either a restricted choice of the prediction model or strong assumptions on the underlying data, we show the disentangling of the prediction model and the calibration/uncertainty quantification has several advantages.

Descent directions such as movement towards Frank-Wolfe vertices, away steps, in-face away steps and pairwise directions have been an important design consideration in conditional gradient descent (CGD) variants. In this work, we attempt to demystify the impact of movement in these directions towards attaining constrained minimizers. The best local direction of descent is the directional derivative of the projection of the gradient, which we refer to as the shadow of the gradient. We show that the continuous-time dynamics of moving in the shadow are equivalent to those of PGD however non-trivial to discretize. By projecting gradients in PGD, one not only ensures feasibility but also is able to wrap around the convex region.

We present an oracle-efficient algorithm for boosting the adversarial robustness of barely robust learners. Barely robust learning algorithms learn predictors that are adversarially robust only on a small fraction $\beta \ll 1$ of the data distribution. Our proposed notion of barely robust learning requires robustness with respect to a ``larger'' perturbation set; which we show is necessary for strongly robust learning, and that weaker relaxations are not sufficient for strongly robust learning. Our results reveal a qualitative and quantitative equivalence between two seemingly unrelated problems: strongly robust learning and barely robust learning.

It is important to learn various types of classifiers given training data with noisy labels. Noisy labels, in the most popular noise model hitherto, are corrupted from ground-truth labels by an unknown noise transition matrix. Thus, by estimating this matrix, classifiers can escape from overfitting those noisy labels. However, such estimation is practically difficult, due to either the indirect nature of two-step approaches, or not big enough data to afford end-to-end approaches. In this paper, we propose a human-assisted approach called ''Masking'' that conveys human cognition of invalid class transitions and naturally speculates the structure of the noise transition matrix. To this end, we derive a structure-aware probabilistic model incorporating a structure prior, and solve the challenges from structure extraction and structure alignment. Thanks to Masking, we only estimate unmasked noise transition probabilities and the burden of estimation is tremendously reduced. We conduct extensive experiments on CIFAR-10 and CIFAR-100 with three noise structures as well as the industrial-level Clothing1M with agnostic noise structure, and the results show that Masking can improve the robustness of classifiers significantly.

In language and vision-language models, hallucination is broadly understood as content generated from a model's prior knowledge or biases rather than from the given input. While this phenomenon has been studied in those domains, it has not been clearly framed for text-to-image (T2I) generative models. Existing evaluations mainly focus on alignment, checking whether prompt-specified elements appear, but overlook what the model generates beyond the prompt. We argue for defining hallucination in T2I as bias-driven deviations and propose a taxonomy with three categories: attribute, relation, and object hallucinations. This framing introduces an upper bound for evaluation and surfaces hidden biases, providing a foundation for richer assessment of T2I models.