33 accepted papers
To deploy large language models (LLMs) in high-stakes application domains that require substantively accurate responses to open-ended prompts, we need reliable, computationally inexpensive methods that assess the trustworthiness of long-form responses generated by LLMs. However, existing approaches …
Joint-Embedding Predictive Architectures (JEPA) learn view-invariant representations and admit projection-based distribution matching for collapse preventions. Existing approaches regularize representations towards isotropic Gaussian distributions, but inherently favor dense representations and fail…
Learning good representations is essential for latent planning with world models. While pretrained visual encoders provide strong visual features, they are not tailored to planning and contain substantial information which is irrelevant to planning. Inspired by the perceptual straightening hypothesi…
Vector Quantization (VQ) underpins modern discrete visual tokenization. However, training quantization modules for state-of-the-art VQ-based models requires significant computational resources which, in practice, all but prevents the development of novel, cutting-edge VQ techniques under resource co…
Transformers have emerged as the dominant architecture in the field of deep learning, with a broad range of applications and remarkable in-context learning (ICL) capabilities. While not yet fully understood, ICL has already proved to be an intriguing phenomenon, allowing transformers to learn in con…
Fine-tuning off-the-shelf pre-trained neural networks has become the default starting point for a wide range of challenging prediction tasks—especially in computer vision and natural language processing, where pre-trained models trained on millions or even billions of data points are publicly availa…
Rapid growth of high-dimensional datasets in fields such as single-cell RNA sequencing and spatial genomics has led to unprecedented opportunities for scientific discovery, but it also presents unique computational and statistical challenges. Traditional methods struggle with geometry-aware data gen…
A number of different architectures and loss functions have been applied to the problem of self-supervised learning (SSL), with the goal of developing embeddings that provide the best possible pre-training for as-yet-unknown, lightly supervised downstream tasks. One of these SSL criteria is to maxim…
A long-standing goal in AI is to develop agents capable of solving diverse tasks across a range of environments, including those never seen during training. Two dominant paradigms address this challenge: (i) reinforcement learning (RL), which learns policies via trial and error, and (ii) optimal con…
A critical component in the trustworthiness of LLMs is reliable uncertainty communication, yet LLMs often use assertive language when conveying false claims, leading to over-reliance and eroded trust. We present the first systematic study of _faithful confidence calibration_ of LLMs, benchmarking mo
To detect distribution shifts and improve model safety, many out-of-distribution (OOD) detection methods rely on the predictive uncertainty or features of supervised models trained on in-distribution data. In this position paper, we critically re-examine this popular family of OOD detection procedur…
We investigate the mechanistic sources of uncertainty in large language models (LLMs), an area with important implications for language model reliability and trustworthiness. To do so, we conduct a series of experiments designed to identify whether the factuality of generated responses and a model’s…
Large language models (LLMs) often mislead users with confident hallucinations. Current approaches to detect hallucination require many samples from the LLM generator, which is computationally infeasible as frontier model sizes and generation lengths continue to grow. We present a remarkably simple
Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been wel…
Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and, with data-driven guidance, conditional generation within their…
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 (…
Modern language models can contain billions of parameters, raising the question of whether they can generalize beyond the training data or simply parrot their training corpora. We provide the first non-vacuous generalization bounds for pretrained large language models (LLMs), indicating that languag…
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 uncertai…
Embodied AI agents require a fine-grained understanding of the physical world mediated through visual and language inputs. Such capabilities are difficult to learn solely from task-specific data. This has led to the emergence of pre-trained vision-language models as a tool for transferring represent…
Variance-Invariance-Covariance Regularization (VICReg) is a self-supervised learning (SSL) method that has shown promising results on a variety of tasks. However, the fundamental mechanisms underlying VICReg remain unexplored. In this paper, we present an information-theoretic perspective on the VIC…
Accelerating the discovery of novel and more effective therapeutics is an important pharmaceutical problem in which deep learning is playing an increasingly significant role. However, real-world drug discovery tasks are often characterized by a scarcity of labeled data and significant covariate shif…
Parameter-space regularization in neural network optimization is a fundamental tool for improving generalization. However, standard parameter-space regularization methods make it challenging to encode explicit preferences about desired predictive functions into neural network training. In this work,…
A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with high fitness. Given its broad success in conditional sampling…
Standard regularized training procedures correspond to maximizing a posterior distribution over parameters, known as maximum a posteriori (MAP) estimation. However, model parameters are of interest only insomuch as they combine with the functional form of a model to provide a function that can make…
Vision-language pretrained models have seen remarkable success, but their application to safety-critical settings is limited by their lack of interpretability. To improve the interpretability of vision-language models such as CLIP, we propose a multi-modal information bottleneck (M2IB) approach that…
Sequential Bayesian inference over predictive functions is a natural framework for continual learning from streams of data. However, applying it to neural networks has proved challenging in practice. Addressing the drawbacks of existing techniques, we propose an optimization objective derived by for…
Reliable predictive uncertainty estimation plays an important role in enabling the deployment of neural networks to safety-critical settings. A popular approach for estimating the predictive uncertainty of neural networks is to define a prior distribution over the network parameters, infer an approx…
Bayesian deep learning seeks to equip deep neural networks with the ability to precisely quantify their predictive uncertainty, and has promised to make deep learning more reliable for safety-critical real-world applications. Yet, existing Bayesian deep learning methods fall short of this promise; n…
KL-regularized reinforcement learning from expert demonstrations has proved successful in improving the sample efficiency of deep reinforcement learning algorithms, allowing them to be applied to challenging physical real-world tasks. However, we show that KL-regularized reinforcement learning with…
We show that the gradient estimates used in training Deep Gaussian Processes (DGPs) with importance-weighted variational inference are susceptible to signal-to-noise ratio (SNR) issues. Specifically, we show both theoretically and via an extensive empirical evaluation that the SNR of the gradient es…
While reinforcement learning algorithms provide automated acquisition of optimal policies, practical application of such methods requires a number of design decisions, such as manually designing reward functions that not only define the task, but also provide sufficient shaping to accomplish it. In…
Inter-domain Gaussian processes (GPs) allow for high flexibility and low computational cost when performing approximate inference in GP models. They are particularly suitable for modeling data exhibiting global structure but are limited to stationary covariance functions and thus fail to model non-s…
Applying probabilistic models to reinforcement learning (RL) enables the uses of powerful optimisation tools such as variational inference in RL. However, existing inference frameworks and their algorithms pose significant challenges for learning optimal policies, e.g., the lack of mode capturing be…