We thank the reviewers for their careful consideration of our work. R2 suggested that an analysis on non-toy models would be interesting to see. R3 believed that the synthetic experiment was not suited to the model class. We expect our analysis on smaller models to extrapolate to larger ones (R2). We regret that we were not clearer about how our aim differs from these studies [McMurray et al. (2012), ME would aid downstream learning as we propose or as is observed in humans in lifelong learning settings.

Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-based virtual screening has garnered significant attention due to its efficacy in conducting extensive database screenings without relying on specific protein-binding site information. Obtaining binding affinity data for complexes is highly expensive, resulting in a limited amount of available data that covers a relatively small chemical space. Moreover, these datasets contain a significant amount of inconsistent noise. It is challenging to identify an inductive bias that consistently maintains the integrity of molecular activity during data augmentation. To tackle these challenges, we propose S-MolSearch, the first framework to our knowledge, that leverages molecular 3D information and affinity information in semi-supervised contrastive learning for ligand-based virtual screening. Drawing on the principles of inverse optimal transport, S-MolSearch efficiently processes both labeled and unlabeled data, training molecular structural encoders while generating soft labels for the unlabeled data. This design allows S-MolSearch to adaptively utilize unlabeled data within the learning process. Empirically, S-MolSearch demonstrates superior performance on widely-used benchmarks LIT-PCBA and DUD-E.

Recent work developed convolutional deep kernel machines, achieving 92.7% test accuracy on CIFAR-10 using a ResNet-inspired architecture, which is SOTA for kernel methods. However, this still lags behind neural networks, which easily achieve over 94% test accuracy with similar architectures. In this work we introduce several modifications to improve the convolutional deep kernel machine's generalisation, including stochastic kernel regularisation, which adds noise to the learned Gram matrices during training. The resulting model achieves 94.5% test accuracy on CIFAR-10. This finding has important theoretical and practical implications, as it demonstrates that the ability to perform well on complex tasks like image classification is not unique to neural networks. Instead, other approaches including deep kernel methods can achieve excellent performance on such tasks, as long as they have the capacity to learn representations from data.

We study fair allocation of constrained resources, where a market designer optimizes overall welfare while maintaining group fairness. In many large-scale settings, utilities are not known in advance, but are instead observed after realizing the allocation. We therefore estimate agent utilities using machine learning. Optimizing over estimates requires trading-off between mean utilities and their predictive variances. We discuss these trade-offs under two paradigms for preference modeling - in the stochastic optimization regime, the market designer has access to a probability distribution over utilities, and in the robust optimization regime they have access to an uncertainty set containing the true utilities with high probability. We discuss utilitarian and egalitarian welfare objectives, and we explore how to optimize for them under stochastic and robust paradigms. We demonstrate the efficacy of our approaches on three publicly available conference reviewer assignment datasets. The approaches presented enable scalable constrained resource allocation under uncertainty for many combinations of objectives and preference models.

Stereo matching is a classic challenging problem in computer vision, which has recently witnessed remarkable progress by Deep Neural Networks (DNNs). This paradigm shift leads to two interesting and entangled questions that have not been addressed well. First, it is unclear whether stereo matching DNNs that are trained from scratch really learn to perform matching well.

Let (X, Σ) be a measurable space. In the context of Section 4.1, we have (at least) the following instantiations of Assumption 4.2: (i) Assume the reward is bounded by r We provide a proof for Lemma 4.1 for completeness. The proof is essentially the same as that for [44, Lemma 4.3]. Now we prove Theorem 4.2. We first note that a two-sided bound follows from Lemma 4.1: |η We outline the practical MOPO algorithm in Algorithm 2. To answer question (3), we conduct a thorough ablation study on MOPO.

Despite many recent works on Mixture of Experts (MoEs) for resource-efficient Transformer language models, existing methods mostly focus on MoEs for feedforward layers. Previous attempts at extending MoE to the self-attention layer fail to match the performance of the parameter-matched baseline. Our novel SwitchHead is an effective MoE method for the attention layer that successfully reduces both the compute and memory requirements, achieving wall-clock speedup, while matching the language modeling performance of the baseline Transformer. Our novel MoE mechanism allows SwitchHead to compute up to 8 times fewer attention matrices than the standard Transformer. SwitchHead can also be combined with MoE feedforward layers, resulting in fully-MoE "SwitchAll" Transformers. For our 262M parameter model trained on C4, SwitchHead matches the perplexity of standard models with only 44% compute and 27% memory usage. Zero-shot experiments on downstream tasks confirm the performance of SwitchHead, e.g., achieving more than 3.5% absolute improvements on BliMP compared to the baseline with an equal compute resource.

Despite recent advancements in high-fidelity human reconstruction techniques, the requirements for densely captured images or time-consuming per-instance optimization significantly hinder their applications in broader scenarios. To tackle these issues, we present HumanSplat, which predicts the 3D Gaussian Splatting properties of any human from a single input image in a generalizable manner. Specifically, HumanSplat comprises a 2D multi-view diffusion model and a latent reconstruction Transformer with human structure priors that adeptly integrate geometric priors and semantic features within a unified framework. A hierarchical loss that incorporates human semantic information is devised to achieve high-fidelity texture modeling and impose stronger constraints on the estimated multiple views. Comprehensive experiments on standard benchmarks and in-the-wild images demonstrate that HumanSplat surpasses existing state-of-the-art methods in achieving photorealistic novel-view synthesis.

Models trained with empirical risk minimization (ERM) are prone to be biased towards spurious correlations between target labels and bias attributes, which leads to poor performance on data groups lacking spurious correlations. It is particularly challenging to address this problem when access to bias labels is not permitted. To mitigate the effect of spurious correlations without bias labels, we first introduce a novel training objective designed to robustly enhance model performance across all data samples, irrespective of the presence of spurious correlations. From this objective, we then derive a debiasing method, Disagreement Probability based Resampling for debiasing (DPR), which does not require bias labels. DPR leverages the disagreement between the target label and the prediction of a biased model to identify bias-conflicting samples--those without spurious correlations--and upsamples them according to the disagreement probability. Empirical evaluations on multiple benchmarks demonstrate that DPR achieves state-of-the-art performance over existing baselines that do not use bias labels. Furthermore, we provide a theoretical analysis that details how DPR reduces dependency on spurious correlations.

Open-vocabulary semantic segmentation (OVSS) aims to segment unseen classes without corresponding labels. Existing Vision-Language Model (VLM)- based methods leverage VLM's rich knowledge to enhance additional explicit segmentation-specific networks, yielding competitive results, but at the cost of extensive training cost. To reduce the cost, we attempt to enable VLM to directly produce the segmentation results without any segmentation-specific networks. Prompt learning offers a direct and parameter-efficient approach, yet it falls short in guiding VLM for pixel-level visual classification. Therefore, we propose the Relationship Prompt Module (RPM), which generates the relationship prompt that directs VLM to extract pixel-level semantic embeddings suitable for OVSS. Moreover, RPM integrates with VLM to construct the Relationship Prompt Network (RPN), achieving OVSS without any segmentation-specific networks.