How do we transfer the relevant knowledge from ever larger foundation models into small, task-specific downstream models that can run at much lower costs? Standard transfer learning using pre-trained weights as the initialization transfers limited information and commits us to often massive pre-trained architectures. This procedure also precludes combining multiple pre-trained models that learn complementary information. To address these shortcomings, we introduce Adaptive Feature Transfer (AFT). Instead of transferring weights, AFT operates purely on features, thereby decoupling the choice of the pre-trained model from the smaller downstream model. Rather than indiscriminately compressing all pre-trained features, AFT adaptively transfers pre-trained features that are most useful for performing the downstream task, using a simple regularization that adds minimal overhead. Across multiple vision, language, and multi-modal datasets, AFT achieves significantly better downstream performance compared to alternatives with a similar computational cost. Furthermore, AFT reliably translates improvement in pre-trained models into improvement in downstream performance, even if the downstream model is over $50\times$ smaller, and can effectively transfer complementary information learned by multiple pre-trained models.

Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.

Models trained on data composed of different groups or domains can suffer from severe performance degradation under distribution shifts. While recent methods have largely focused on optimizing the worst-group objective, this often comes at the expense of good performance on other groups. To address this problem, we introduce an optimization scheme to achieve good performance across groups and find a good solution for all without severely sacrificing performance on any of them. However, directly applying such optimization involves updating the parameters of the entire network, making it both computationally expensive and challenging. Thus, we introduce Controllable Prompt Tuning (CPT), which couples our approach with prompt-tuning techniques. On spurious correlation benchmarks, our procedures achieve state-of-the-art results across both transformer and non-transformer architectures, as well as unimodal and multimodal data, while requiring only 0.4% tunable parameters.

There are a thousand ways to caption an image. Contrastive Language Pretraining (CLIP) on the other hand, works by mapping an image and its caption to a single vector -- limiting how well CLIP-like models can represent the diverse ways to describe an image. In this work, we introduce Llip, Latent Language Image Pretraining, which models the diversity of captions that could match an image. Llip's vision encoder outputs a set of visual features that are mixed into a final representation by conditioning on information derived from the text. We show that Llip outperforms non-contextualized baselines like CLIP and SigLIP on a variety of tasks even with large-scale encoders. Llip improves zero-shot classification by an average of 2.9% zero-shot classification benchmarks with a ViT-G/14 encoder. Specifically, Llip attains a zero-shot top-1 accuracy of 83.5% on ImageNet outperforming a similarly sized CLIP by 1.4%. We also demonstrate improvement on zero-shot retrieval on MS-COCO by 6.0%. We provide a comprehensive analysis of the components introduced by the method and demonstrate that Llip leads to richer visual representations.

We introduce Chronos, a simple yet effective framework for pretrained probabilistic time series models. Chronos tokenizes time series values using scaling and quantization into a fixed vocabulary and trains existing transformer-based language model architectures on these tokenized time series via the cross-entropy loss. We pretrained Chronos models based on the T5 family (ranging from 20M to 710M parameters) on a large collection of publicly available datasets, complemented by a synthetic dataset that we generated via Gaussian processes to improve generalization. In a comprehensive benchmark consisting of 42 datasets, and comprising both classical local models and deep learning methods, we show that Chronos models: (a) significantly outperform other methods on datasets that were part of the training corpus; and (b) have comparable and occasionally superior zero-shot performance on new datasets, relative to methods that were trained specifically on them. Our results demonstrate that Chronos models can leverage time series data from diverse domains to improve zero-shot accuracy on unseen forecasting tasks, positioning pretrained models as a viable tool to greatly simplify forecasting pipelines.

Modern neural networks are often trained on massive datasets that are web scraped with minimal human inspection. As a result of this insecure curation pipeline, an adversary can poison or backdoor the resulting model by uploading malicious data to the internet and waiting for a victim to scrape and train on it. Existing approaches for creating poisons and backdoors start with randomly sampled clean data, called base samples, and then modify those samples to craft poisons. However, some base samples may be significantly more amenable to poisoning than others. As a result, we may be able to craft more potent poisons by carefully choosing the base samples. In this work, we use guided diffusion to synthesize base samples from scratch that lead to significantly more potent poisons and backdoors than previous state-of-the-art attacks. Our Guided Diffusion Poisoning (GDP) base samples can be combined with any downstream poisoning or backdoor attack to boost its effectiveness. Our implementation code is publicly available at: https://github.com/hsouri/GDP .

Machine learning models often perform poorly under subpopulation shifts in the data distribution. Developing methods that allow machine learning models to better generalize to such shifts is crucial for safe deployment in real-world settings. In this paper, we develop a family of group-aware prior (GAP) distributions over neural network parameters that explicitly favor models that generalize well under subpopulation shifts. We design a simple group-aware prior that only requires access to a small set of data with group information and demonstrate that training with this prior yields state-of-the-art performance -- even when only retraining the final layer of a previously trained non-robust model. Group aware-priors are conceptually simple, complementary to existing approaches, such as attribute pseudo labeling and data reweighting, and open up promising new avenues for harnessing Bayesian inference to enable robustness to subpopulation shifts.

In the current landscape of deep learning research, there is a predominant emphasis on achieving high predictive accuracy in supervised tasks involving large image and language datasets. However, a broader perspective reveals a multitude of overlooked metrics, tasks, and data types, such as uncertainty, active and continual learning, and scientific data, that demand attention. Bayesian deep learning (BDL) constitutes a promising avenue, offering advantages across these diverse settings. This paper posits that BDL can elevate the capabilities of deep learning. It revisits the strengths of BDL, acknowledges existing challenges, and highlights some exciting research avenues aimed at addressing these obstacles. Looking ahead, the discussion focuses on possible ways to combine large-scale foundation models with BDL to unlock their full potential.

We propose fine-tuning large language models for generation of stable materials. While unorthodox, fine-tuning large language models on text-encoded atomistic data is simple to implement yet reliable, with around 90% of sampled structures obeying physical constraints on atom positions and charges. Using energy above hull calculations from both learned ML potentials and gold-standard DFT calculations, we show that our strongest model (fine-tuned LLaMA-2 70B) can generate materials predicted to be metastable at about twice the rate (49% vs 28%) of CD-VAE, a competing diffusion model. Because of text prompting's inherent flexibility, our models can simultaneously be used for unconditional generation of stable material, infilling of partial structures and text-conditional generation. Finally, we show that language models' ability to capture key symmetries of crystal structures improves with model scale, suggesting that the biases of pretrained LLMs are surprisingly well-suited for atomistic data. Large language models (LLMs) are trained to compress large text datasets, but can also act as strong foundations for non-text data (Delétang et al., 2023). As compressors, LLMs extract common patterns and find simple programs that can produce them (Goldblum et al., 2023; Sutskever, 2023), regardless of the data's origin. Alongside generality, LLM pre-training also gives rise to sample efficiency, as in-context learning and fine-tuning require far fewer training examples to identify salient patterns than training a model from scratch (Brown et al., 2020). The generality and sample efficiency of LLMs make them particular promising for scientific problems, where data are often limited, collected from diverse sources, or challenging for non-experts to interpret. In materials science, for example, the number of known stable materials is relatively small, and the data describing each material are diverse, including composition, structure, and complex properties. LLMs can learn generalizable rules from a small number of examples (Zhu et al., 2023), combine modalities into a single model (Moon et al., 2023), and provide users with a text-based interface. A text interface, in particular, has the potential to improve access to scientific discovery (White, 2023); LLMs can use text to describe new observations, or, in design applications (e.g. In this work, we show that fine-tuned LLMs can generate the three-dimensional structure of stable crystals as text (Figure 1).

Modern language models can contain billions of parameters, raising the question of whether they can generalize beyond the training data or simply regurgitate their training corpora. We provide the first non-vacuous generalization bounds for pretrained large language models (LLMs), indicating that language models are capable of discovering regularities that generalize to unseen data. In particular, we derive a compression bound that is valid for the unbounded log-likelihood loss using prediction smoothing, and we extend the bound to handle subsampling, accelerating bound computation on massive datasets. To achieve the extreme level of compression required for non-vacuous generalization bounds, we devise SubLoRA, a low-dimensional non-linear parameterization. Using this approach, we find that larger models have better generalization bounds and are more compressible than smaller models.