PaliGemma is an open Vision-Language Model (VLM) that is based on the SigLIP-So400m vision encoder and the Gemma-2B language model. It is trained to be a versatile and broadly knowledgeable base model that is effective to transfer. It achieves strong performance on a wide variety of open-world tasks. We evaluate PaliGemma on almost 40 diverse tasks including standard VLM benchmarks, but also more specialized tasks such as remote-sensing and segmentation.

Biological and artificial information processing systems form representations that they can use to categorize, reason, plan, navigate, and make decisions. How can we measure the extent to which the representations formed by these diverse systems agree? Do similarities in representations then translate into similar behavior? How can a system's representations be modified to better match those of another system? These questions pertaining to the study of representational alignment are at the heart of some of the most active research areas in cognitive science, neuroscience, and machine learning. For example, cognitive scientists measure the representational alignment of multiple individuals to identify shared cognitive priors, neuroscientists align fMRI responses from multiple individuals into a shared representational space for group-level analyses, and ML researchers distill knowledge from teacher models into student models by increasing their alignment. Unfortunately, there is limited knowledge transfer between research communities interested in representational alignment, so progress in one field often ends up being rediscovered independently in another. Thus, greater cross-field communication would be advantageous. To improve communication between these fields, we propose a unifying framework that can serve as a common language between researchers studying representational alignment. We survey the literature from all three fields and demonstrate how prior work fits into this framework. Finally, we lay out open problems in representational alignment where progress can benefit all three of these fields. We hope that our work can catalyze cross-disciplinary collaboration and accelerate progress for all communities studying and developing information processing systems. We note that this is a working paper and encourage readers to reach out with their suggestions for future revisions.

Model overconfidence and poor calibration are common in machine learning and difficult to account for when applying standard empirical risk minimization. In this work, we propose a novel method to alleviate these problems that we call odd-$k$-out learning (OKO), which minimizes the cross-entropy error for sets rather than for single examples. This naturally allows the model to capture correlations across data examples and achieves both better accuracy and calibration, especially in limited training data and class-imbalanced regimes. Perhaps surprisingly, OKO often yields better calibration even when training with hard labels and dropping any additional calibration parameter tuning, such as temperature scaling. We provide theoretical justification, establishing that OKO naturally yields better calibration, and provide extensive experimental analyses that corroborate our theoretical findings. We emphasize that OKO is a general framework that can be easily adapted to many settings and the trained model can be applied to single examples at inference time, without introducing significant run-time overhead or architecture changes.

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.

Convolutional Neural Networks (CNNs) are the go-to model for computer vision. Recently, attention-based networks, such as the Vision Transformer, have also become popular. In this paper we show that while convolutions and attention are both sufficient for good performance, neither of them are necessary. We present MLP-Mixer, an architecture based exclusively on multi-layer perceptrons (MLPs). MLP-Mixer contains two types of layers: one with MLPs applied independently to image patches (i.e. "mixing" the per-location features), and one with MLPs applied across patches (i.e. "mixing" spatial information). When trained on large datasets, or with modern regularization schemes, MLP-Mixer attains competitive scores on image classification benchmarks, with pre-training and inference cost comparable to state-of-the-art models. We hope that these results spark further research beyond the realms of well established CNNs and Transformers.

Deep Convolutional Neural Networks (CNNs) have long been the architecture of choice for computer vision tasks. Recently, Transformer-based architectures like Vision Transformer (ViT) have matched or even surpassed ResNets for image classification. However, details of the Transformer architecture -- such as the use of non-overlapping patches -- lead one to wonder whether these networks are as robust. In this paper, we perform an extensive study of a variety of different measures of robustness of ViT models and compare the findings to ResNet baselines. We investigate robustness to input perturbations as well as robustness to model perturbations. We find that when pre-trained with a sufficient amount of data, ViT models are at least as robust as the ResNet counterparts on a broad range of perturbations. We also find that Transformers are robust to the removal of almost any single layer, and that while activations from later layers are highly correlated with each other, they nevertheless play an important role in classification.

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. Self-attention-based architectures, in particular Transformers (Vaswani et al., 2017), have become the model of choice in natural language processing (NLP). The dominant approach is to pre-train on a large text corpus and then fine-tune on a smaller task-specific dataset (Devlin et al., 2019). Thanks to Transformers' computational efficiency and scalability, it has become possible to train models of unprecedented size, with over 100B parameters. With the models and datasets growing, there is still no sign of saturating performance. In computer vision, however, convolutional architectures remain dominant (LeCun et al., 1989; Krizhevsky et al., 2012; He et al., 2016). Inspired by NLP successes, multiple works try combining CNN-like architectures with self-attention (Wang et al., 2018; Carion et al., 2020), some replacing the convolutions entirely (Ramachandran et al., 2019; Wang et al., 2020a). The latter models, while theoretically efficient, have not yet been scaled effectively on modern hardware accelerators due to the use of specialized attention patterns. Therefore, in large-scale image recognition, classic ResNetlike architectures are still state of the art (Mahajan et al., 2018; Xie et al., 2020; Kolesnikov et al., 2020). Inspired by the Transformer scaling successes in NLP, we experiment with applying a standard Transformer directly to images, with the fewest possible modifications. To do so, we split an image into patches and provide the sequence of linear embeddings of these patches as an input to a Transformer.

Learning object-centric representations of complex scenes is a promising step towards enabling efficient abstract reasoning from low-level perceptual features. Yet, most deep learning approaches learn distributed representations that do not capture the compositional properties of natural scenes. In this paper, we present the Slot Attention module, an architectural component that interfaces with perceptual representations such as the output of a convolutional neural network and produces a set of task-dependent abstract representations which we call slots. These slots are exchangeable and can bind to any object in the input by specializing through a competitive procedure over multiple rounds of attention. We empirically demonstrate that Slot Attention can extract object-centric representations that enable generalization to unseen compositions when trained on unsupervised object discovery and supervised property prediction tasks.

Without any means of interpretation, neural networks that predict molecular properties and bioactivities are merely black boxes. We will unravel these black boxes and will demonstrate approaches to understand the learned representations which are hidden inside these models. We show how single neurons can be interpreted as classifiers which determine the presence or absence of pharmacophore- or toxicophore-like structures, thereby generating new insights and relevant knowledge for chemistry, pharmacology and biochemistry. We further discuss how these novel pharmacophores/toxicophores can be determined from the network by identifying the most relevant components of a compound for the prediction of the network. Additionally, we propose a method which can be used to extract new pharmacophores from a model and will show that these extracted structures are consistent with literature findings. We envision that having access to such interpretable knowledge is a crucial aid in the development and design of new pharmaceutically active molecules, and helps to investigate and understand failures and successes of current methods.

Recent advances in deep generative models have lead to remarkable progress in synthesizing high quality images. Following their successful application in image processing and representation learning, an important next step is to consider videos. Learning generative models of video is a much harder task, requiring a model to capture the temporal dynamics of a scene, in addition to the visual presentation of objects. Although recent attempts at formulating generative models of video have had some success, current progress is hampered by (1) the lack of qualitative metrics that consider visual quality, temporal coherence, and diversity of samples, and (2) the wide gap between purely synthetic video datasets and challenging real-world datasets in terms of complexity. To this extent we propose Fr\'echet Video Distance (FVD), a new metric for generative models of video based on FID, and StarCraft 2 Videos (SCV), a collection of progressively harder datasets that challenge the capabilities of the current iteration of generative models for video. We conduct a large-scale human study, which confirms that FVD correlates well with qualitative human judgment of generated videos, and provide initial benchmark results on SCV.