49 accepted papers
Out-of-distribution (OOD) detection, which maps high-dimensional data into a scalar OOD score, is critical for the reliable deployment of machine learning models. A key challenge in recent research is how to effectively leverage and aggregate token embeddings from language models to obtain the OOD s…
Hallucinations are a common issue that undermine the reliability of large language models (LLMs). Recent studies have identified a specific subset of hallucinations, known as confabulations, which arise due to predictive uncertainty of LLMs. To detect confabulations, various methods for estimating p…
Density ratio estimation (DRE) is fundamental in machine learning and statistics, with applications in domain adaptation and two-sample testing. However, DRE methods are highly sensitive to hyperparameter selection, with suboptimal choices often resulting in poor convergence rates and empirical perf…
Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Leading uncertainty estimation methods generate and analyze multiple output sequence…
There have been numerous attempts to distill quadratic attention-based LLMs into sub-quadratic linearized architectures. However, despite extensive research, such distilled models often fail to match the performance of their teacher LLMs on various downstream tasks. We set out the goal of lossless d…
Scaling laws play a central role in the success of Large Language Models (LLMs), enabling the prediction of model performance relative to compute budgets prior to training. While Transformers have been the dominant architecture, recent alternatives such as xLSTM offer linear complexity with respe…
In recent years, there has been a trend in the field of Reinforcement Learning (RL) towards large action models trained offline on large-scale datasets via sequence modeling. Existing models are primarily based on the Transformer architecture, which results in powerful agents. However, due to slow i…
Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures. While Transformers have yielded impressive results, their quad…
While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as…
Geometry is a ubiquitous tool in computer graphics, design, and engineering. However, the lack of large shape datasets limits the application of state-of-the-art supervised learning methods and motivates the exploration of alternative learning strategies. To this end, we introduce geometry-informed…
Large language models (LLMs) can suffer from hallucinations when generating text. These hallucinations impede various applications in society and industry by making LLMs untrustworthy. Current LLMs generate text in an autoregressive fashion by predicting and appending text tokens. When an LLM is unc…
We introduce MIM (Masked Image Modeling)-Refiner, a contrastive learning boost for pre-trained MIM models. MIM-Refiner is motivated by the insight that strong representations within MIM models generally reside in intermediate layers. Accordingly, MIM-Refiner leverages multiple instance discriminatio…
Reliable estimation of predictive uncertainty is crucial for machine learning applications, particularly in high-stakes scenarios where hedging against risks is essential. Despite its significance, there is no universal agreement on how to best quantify predictive uncertainty. In this work, we revis
Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned for a specific downstream task. The most common fine-tuning method is to update pretrained weights via low-rank adaptation (LoRA). Existing initialization strategies for LoRA often rely on singular value decompositio…
Diffusion bridges are a promising class of deep-learning methods for sampling from unnormalized distributions. Recent works show that the Log Variance (LV) loss consistently outperforms the reverse Kullback-Leibler (rKL) loss when using the reparametrization trick to compute rKL-gradients. While th…
Learning to sample from complex unnormalized distributions over discrete domains emerged as a promising research direction with applications in statistical physics, variational inference, and combinatorial optimization. Recent work has demonstrated the potential of diffusion models in this domain. H…
Ensembles of Deep Neural Networks, Deep Ensembles, are widely used as a simple way to boost predictive performance. However, their impact on algorithmic fairness is not well understood yet. Algorithmic fairness examines how a model's performance varies across socially relevant groups defined by prot…
In-context learning, the ability of large language models to perform tasks using only examples provided in the prompt, has recently been adapted for time series forecasting. This paradigm enables zero-shot prediction, where past values serve as context for forecasting future values, making powerfu…
Linear RNNs with gating recently demonstrated competitive performance compared to Transformers in language modeling. Although their linear compute scaling in sequence length offers theoretical runtime advantages over Transformers, realizing these benefits in practice requires optimized custom kernel…
Transformers are widely used as generic backbones in computer vision, despite initially introduced for natural language processing. Recently, the Long Short-Term Memory (LSTM) has been extended to a scalable and performant architecture - the xLSTM - which overcomes long-standing LSTM limitations via…
Modern recurrent architectures, such as xLSTM and Mamba, have recently challenged the Transformer in language modeling. However, their structure constrains their applicability to sequences only or requires processing multi-dimensional data structures, such as images or molecular graphs, in a pre-…
Recent breakthroughs in solving reasoning, math and coding problems with Large Language Models (LLMs) have been enabled by investing substantial computation budgets at inference time. Therefore, inference speed is one of the most critical properties of LLM architectures, and there is a growing need…
Learning to sample from intractable distributions over discrete sets without relying on corresponding training data is a central problem in a wide range of fields, including Combinatorial Optimization. Currently, popular deep learning-based approaches rely primarily on generative models that yield e…
Masked Image Modeling (MIM) methods, like Masked Autoencoders (MAE), efficiently learn a rich representation of the input. However, for adapting to downstream tasks, they require a sufficient amount of labeled data since their rich features code not only objects but also less relevant image backgrou…
Out-of-distribution (OOD) detection is critical when deploying machine learning models in the real world. Outlier exposure methods, which incorporate auxiliary outlier data in the training process, can drastically improve OOD detection performance compared to approaches without advanced training str…
Estimating the ratio of two probability densities from finitely many samples, is a central task in machine learning and statistics. In this work, we show that a large class of kernel methods for density ratio estimation suffers from error saturation, which prevents algorithms from achieving fast err…
In the 1990s, the constant error carousel and gating were introduced as the central ideas of the Long Short-Term Memory (LSTM). Since then, LSTMs have stood the test of time and contributed to numerous deep learning success stories, in particular they constituted the first Large Language Models (LLM…
We study the problem of choosing algorithm hyper-parameters in unsupervised domain adaptation, i.e., with labeled data in a source domain and unlabeled data in a target domain, drawn from a different input distribution. We follow the strategy to compute several models using different hyper-parameter…
The abundance of data has given machine learning considerable momentum in natural sciences and engineering, though modeling of physical processes is often difficult. A particularly tough problem is the efficient representation of geometric boundaries. Triangularized geometric boundaries are well und…
To quantify uncertainty, conformal prediction methods are gaining continuously more interest and have already been successfully applied to various domains. However, they are difficult to apply to time series as the autocorrelative structure of time series violates basic assumptions required by confo…
A central task in computational drug discovery is to construct models from known active molecules to find further promising molecules for subsequent screening. However, typically only very few active molecules are known. Therefore, few-shot learning methods have the potential to improve the effectiv…
Activity and property prediction models are the central workhorses in drug discovery and materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without training or fine-tuning, scientific language models could be used for such low-data tasks through their announced z…
Reinforcement Learning (RL) has been successful in various domains like robotics, game playing, and simulation. While RL agents have shown impressive capabilities in their specific tasks, they insufficiently adapt to new tasks. In supervised learning, this adaptation problem is addressed by large-sc…
Quantifying uncertainty is important for actionable predictions in real-world applications. A crucial part of predictive uncertainty quantification is the estimation of epistemic uncertainty, which is defined as an integral of the product between a divergence function and the posterior. Current meth…
Reinforcement learning agents deployed in the real world often have to cope with partially observable environments. Therefore, most agents employ memory mechanisms to approximate the state of the environment. Recently, there have been impressive success stories in mastering partially observable en…
Several recent unsupervised learning methods use probabilistic approaches to solve combinatorial optimization (CO) problems based on the assumption of statistically independent solution variables. We demonstrate that this assumption imposes performance limitations in particular on difficult problem…
Reinforcement learning algorithms require many samples when solving complex hierarchical tasks with sparse and delayed rewards. For such complex tasks, the recently proposed RUDDER uses reward redistribution to leverage steps in the Q-function that are associated with accomplishing sub-tasks. Howeve…
CLIP yielded impressive results on zero-shot transfer learning tasks and is considered as a foundation model like BERT or GPT3. CLIP vision models that have a rich representation are pre-trained using the InfoNCE objective and natural language supervision before they are fine-tuned on particular tas…
In a partially observable Markov decision process (POMDP), an agent typically uses a representation of the past to approximate the underlying MDP. We propose to utilize a frozen Pretrained Language Transformer (PLT) for history representation and compression to improve sample efficiency. To avoid tr…
We introduce a modern Hopfield network with continuous states and a corresponding update rule. The new Hopfield network can store exponentially (with the dimension of the associative space) many patterns, retrieves the pattern with one update, and has exponentially small retrieval errors. It has thr…
The success of Convolutional Neural Networks (CNNs) in computer vision is mainly driven by their strong inductive bias, which is strong enough to allow CNNs to solve vision-related tasks with random weights, meaning without learning. Similarly, Long Short-Term Memory (LSTM) has a strong inductive bi…
A central mechanism in machine learning is to identify, store, and recognize patterns. How to learn, access, and retrieve such patterns is crucial in Hopfield networks and the more recent transformer architectures. We show that the attention mechanism of transformer architectures is actually the upd…
Localizing a specific protein in a human cell is essential for understanding cellular functions and biological processes of underlying diseases. A promising, low-cost,and time-efficient biotechnology for localizing proteins is high-throughput fluorescence microscopy imaging (HTI). This imaging techn…
We propose RUDDER, a novel reinforcement learning approach for delayed rewards in finite Markov decision processes (MDPs). In MDPs the Q-values are equal to the expected immediate reward plus the expected future rewards. The latter are related to bias problems in temporal difference (TD) learning an…
Generative adversarial networks (GANs) evolved into one of the most successful unsupervised techniques for generating realistic images. Even though it has recently been shown that GAN training converges, GAN models often end up in local Nash equilibria that are associated with mode collapse or other…
GANs excel at learning high dimensional distributions, but they can update generator parameters in directions that do not correspond to the steepest descent direction of the objective. Prominent examples of problematic update directions include those used in both Goodfellow’s original GAN and the WG…
Generative Adversarial Networks (GANs) excel at creating realistic images with complex models for which maximum likelihood is infeasible. However, the convergence of GAN training has still not been proved. We propose a two time-scale update rule (TTUR) for training GANs with stochastic gradient desc…
Deep Learning has revolutionized vision via convolutional neural networks (CNNs) and natural language processing via recurrent neural networks (RNNs). However, success stories of Deep Learning with standard feed-forward neural networks (FNNs) are rare. FNNs that perform well are typically shallow an…
We propose rectified factor networks (RFNs) to efficiently construct very sparse, non-linear, high-dimensional representations of the input. RFN models identify rare and small events, have a low interference between code units, have a small reconstruction error, and explain the data covariance struc…