88 accepted papers
Despite the recent success of Multimodal Large Language Models (MLLMs), existing approaches predominantly assume the availability of multiple modalities during training and inference. In practice, multimodal data is often incomplete because modalities may be missing, collected asynchronously, or ava…
An agent must try new behaviors to explore and improve. In high-stakes environments, an agent that violates safety constraints may cause harm and must be taken offline, curtailing any future interaction. Imitating old behavior is safe, but excessive conservatism discourages exploration. How much beh…
Continual learning (CL) has traditionally focused on minimizing exemplar memory, a constraint often misaligned with modern systems where GPU time, not storage, is the primary bottleneck. This paper challenges this paradigm by investigating a more realistic regime: one where memory is abundant enough…
Bayesian predictive inference provides a principled framework for uncertainty quantification, data efficiency, and robust generalization. However, exact inference is often intractable, and scalable approximations may remain computationally expensive or require restrictive modeling assumptions that d…
Understanding the interplay between intra-modality dependencies (the contribution of an individual modality to a target task) and inter-modality dependencies (the relationships between modalities and the target task) is fundamental to advancing multi-modal learning. However, the nature of and intera…
Machine learning (ML) models often struggle to maintain performance under distribution shifts, leading to inaccurate predictions on unseen future data. In this work, we investigate whether and under what conditions models can achieve such a generalization when relying solely on past data. We explore…
Precision oncology requires forecasting clinical events and trajectories, yet modeling sparse, multi-modal clinical time series remains a critical challenge. We introduce TwinWeaver, an open-source framework that serializes longitudinal patient histories into text, enabling unified event prediction …
Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unstable long-term dynamics inhibit learning from sufficiently diverse dynamics, while varying resolutions and dimensionalit…
Understanding cellular phenotypes and how they respond to perturbations is critical for disease biology and therapeutic design. Single-cell RNA sequencing enables characterization at cellular resolution, yet the combinatorial space of conditions makes exhaustive experimental mapping infeasible. We i…
Learning good representations involves capturing the diverse ways in which data samples relate. Contrastive loss—an objective matching related samples—underlies methods from self-supervised to multimodal learning. Contrastive losses, however, can be viewed more broadly as modifying a similarity grap…
While foundation models have shown promise across a variety of fields, astronomy lacks a unified framework for joint modeling across its highly diverse data modalities. In this paper, we present AION-1, the first large-scale multimodal foundation family of models for astronomy. AION-1 enables arbitr…
Language model performance depends on identifying the optimal mixture of data groups to train on (e.g., law, code, math). Prior work has proposed a diverse set of methods to efficiently learn mixture proportions, ranging from fitting regression models over training runs to dynamically updating propo…
We introduce Concept Bottleneck Protein Language Models (CB-pLM), a generative masked language model with a layer where each neuron corresponds to an interpretable concept. Our architecture offers three key benefits: i) Control: We can intervene on concept values to precisely control the properties…
Accurately estimating *semantic* aleatoric and epistemic uncertainties in large language models (LLMs) is particularly challenging in free-form question answering (QA), where obtaining stable estimates often requires many expensive generations. We introduce a **diversity-steered sampler** that disco…
Aligned instruction following models can better fulfill user requests than their unaligned counterparts. However, it has been shown that there is a length bias in evaluation of such models, and that training algorithms tend to exploit this bias by learning longer responses. In this work we show how
Although large language models (LLMs) have shown promise in biomolecule optimization problems, they incur heavy computational costs and struggle to satisfy precise constraints. On the other hand, specialized solvers like LaMBO-2 offer efficiency and fine-grained control but require more domain exper…
Generative modeling is increasingly important for data-driven computational design. Conventional approaches pair a generative model with a discriminative model to select or guide samples toward optimized designs. Yet discriminative models often struggle in data-scarce settings, common in scientific…
In this work, we present sequence-driven structural causal models (SD-SCMs), a framework for specifying causal models with user-defined structure and language-model-defined mechanisms. We characterize how an SD-SCM enables sampling from observational, interventional, and counterfactual distributions
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…
Scaling reasoning capabilities beyond traditional domains such as math and coding is hindered by the lack of diverse and high-quality questions. To overcome this limitation, we introduce a scalable approach for generating diverse and challenging reasoning questions, accompanied by reference answers.…
Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather prediction. However, in many settings, the available information at a given time represents only a small fraction of what is nee…
Downstream scaling laws aim to predict task performance at larger scales from the model’s performance at smaller scales. Whether such prediction should be possible is unclear: some works discover clear linear scaling trends after simple transformations of the performance metric, whereas others point
Many risk-sensitive applications require well-calibrated prediction sets over multiple, potentially correlated target variables, for which the prediction algorithm may report correlated errors. In this work, we aim to construct the conformal prediction set accounting for the joint correlation struct…
Uncertainty-aware meta-learning aims not only for rapid adaptation to new tasks but also for reliable uncertainty estimation under limited supervision. Neural Processes (NPs) offer a flexible solution by learning implicit stochastic processes directly from data, often using a global latent variable…
Decoder-only language models have the ability to dynamically switch between various computational tasks based on input prompts. Despite many successful applications of prompting, there is very limited understanding of the internal mechanism behind such flexibility. In this work, we investigate how d…
Knowledge distillation (KD) is a core component in the training and deployment of modern generative models, particularly large language models (LLMs). While its empirical benefits are well documented---enabling smaller student models to emulate the performance of much larger teachers---the underlyin…
Many scientific and industrial applications require the joint optimization of multiple, potentially competing objectives. Multi-objective Bayesian optimization (MOBO) is a sample-efficient framework for identifying Pareto-optimal solutions. At the heart of MOBO is the acquisition function, which det…
We introduce a generative model with an intrinsically interpretable layer---a concept bottleneck layer---that constrains the model to encode human-understandable concepts. The concept bottleneck layer partitions the generative model into three parts: the pre-concept bottleneck portion, the CB layer,…
Many NLP researchers are experiencing an existential crisis triggered by the astonishing success of ChatGPT and other systems based on large language models (LLMs). After such a disruptive change to our understanding of the field, what is left to do? Taking a historical lens, we look for guidance fr…
Across scientific domains, generating new models or optimizing existing ones while meeting specific criteria is crucial. Traditional machine learning frameworks for guided design use a generative model and a surrogate model (discriminator), requiring large datasets. However, real-world scientific ap…
Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks. In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought…
Supervised multi-modal learning involves mapping multiple modalities to a target label. Previous studies in this field have concentrated on capturing in isolation either the inter-modality dependencies (the relationships between different modalities and the label) or the intra-modality dependencies…
We introduce multiple physics pretraining (MPP), an autoregressive task-agnostic pretraining approach for physical surrogate modeling of spatiotemporal systems with transformers. In MPP, rather than training one model on a specific physical system, we train a backbone model to predict the dynamics o…
Rethink convolution-based graph neural networks (GNN)---they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation. Here, we design a simple graph learning module entirely free of convolution operat…
Preference learning algorithms (e.g., RLHF and DPO) are frequently used to steer LLMs to produce generations that are more preferred by humans, but our understanding of their inner workings is still limited. In this work, we study the conventional wisdom that preference learning trains models to ass…
We resolve difficulties in training and sampling from a discrete generative model by learning a smoothed energy function, sampling from the smoothed data manifold with Langevin Markov chain Monte Carlo (MCMC), and projecting back to the true data manifold with one-step denoising. Our $\textit{Discre…
We introduce a novel Pseudo-Negative Regularization (PNR) framework for effective continual self-supervised learning (CSSL). Our PNR leverages pseudo-negatives obtained through model-based augmentation in a way that newly learned representations may not contradict what has been learned in the past.…
We posit that to achieve superhuman agents, future models require superhuman feedback in order to provide an adequate training signal. Current approaches commonly train reward models from human preferences, which may then be bottlenecked by human performance level, and secondly these reward models r…
The choice of hyperparameters greatly impacts performance in natural language processing. Often, it is hard to tell if a method is better than another or just better tuned. *Tuning curves* fix this ambiguity by accounting for tuning effort. Specifically, they plot validation performance as a functio…
Most interpretability research in NLP focuses on understanding the behavior and features of a fully trained model. However, certain insights into model behavior may only be accessible by observing the trajectory of the training process. We present a case study of syntax acquisition in masked languag…
Active learning is increasingly adopted for expensive multi-objective combinatorial optimization problems, but it involves a challenging subset selection problem, optimizing the batch acquisition score that quantifies the goodness of a batch for evaluation. Due to the excessively large search space…
Unpaired text and audio injection have emerged as dominant methods for improving ASR performance in the absence of a large labeled corpus. However, little guidance exists on deploying these methods to improve production ASR systems that are trained on very large supervised corpora and with realistic…
Recent large-scale neural autoregressive sequence models have shown impressive performances on a variety of natural language generation tasks. However, their generated sequences often exhibit degenerate properties such as non-termination, undesirable repetition, and premature termination, when gener…
We introduce AbDiffuser, an equivariant and physics-informed diffusion model for the joint generation of antibody 3D structures and sequences. AbDiffuser is built on top of a new representation of protein structure, relies on a novel architecture for aligned proteins, and utilizes strong diffusion p…
In the mode connectivity literature, it is widely accepted that there are common circumstances in which two neural networks, trained similarly on the same data, will maintain loss when interpolated in the weight space. In particular, transfer learning is presumed to ensure the necessary conditions f…
In this work, we explore a useful but often neglected methodology for robustness analysis of text generation evaluation metrics: stress tests with synthetic data. Basically, we design and synthesize a wide range of potential errors and check whether they result in a commensurate drop in the metric s…
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…
Generative flow networks (GFlowNets) are a family of algorithms that learn a generative policy to sample discrete objects $x$ with non-negative reward $R(x)$. Learning objectives guarantee the GFlowNet samples $x$ from the target distribution $p^*(x) \propto R(x)$ when loss is globally minimized ove…
We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models’ generalization, as we observe empirically. To estimate the m…
Molecule representation learning (MRL) methods aim to embed molecules into a real vector space. However, existing SMILES-based (Simplified Molecular-Input Line-Entry System) or GNN-based (Graph Neural Networks) MRL methods either take SMILES strings as input that have difficulty in encoding molecule…
It has been shown that machine translation models usually generate poor translations for named entities that are infrequent in the training corpus. Earlier named entity translation methods mainly focus on phonetic transliteration, which ignores the sentence context for translation and is limited in…
We propose generative multitask learning (GMTL), a simple and scalable approach to causal machine learning in the multitask setting. Our approach makes a minor change to the conventional multitask inference objective, and improves robustness to target shift. Since GMTL only modifies the inference ob…
Historical records in Korea before the 20th century were primarily written in Hanja, an extinct language based on Chinese characters and not understood by modern Korean or Chinese speakers. Historians with expertise in this time period have been analyzing the documents, but that process is very diff…
Many recent studies on large-scale language models have reported successful in-context zero- and few-shot learning ability. However, the in-depth analysis of when in-context learning occurs is still lacking. For example, it is unknown how in-context learning performance changes as the training corpu…
The Annals of Joseon Dynasty (AJD) contain the daily records of the Kings of Joseon, the 500-year kingdom preceding the modern nation of Korea.The Annals were originally written in an archaic Korean writing system, ‘Hanja’, and were translated into Korean from 1968 to 1993.The resulting translation…
We present MolT5 - a self-supervised learning framework for pretraining models on a vast amount of unlabeled natural language text and molecule strings. MolT5 allows for new, useful, and challenging analogs of traditional vision-language tasks, such as molecule captioning and text-based de novo mole…
The early phase of training a deep neural network has a dramatic effect on the local curvature of the loss function. For instance, using a small learning rate does not guarantee stable optimization because the optimization trajectory has a tendency to steer towards regions of the loss surface with i…
Recent years have seen numerous NLP datasets introduced to evaluate the performance of fine-tuned models on natural language understanding tasks. Recent results from large pretrained models, though, show that many of these datasets are largely saturated and unlikely to be able to detect further prog…
Vision-and-language navigation (VLN) is a task in which an agent is embodied in a realistic 3D environment and follows an instruction to reach the goal node. While most of the previous studies have built and investigated a discriminative approach, we notice that there are in fact two possible approa…
We introduce Korean Language Understanding Evaluation (KLUE) benchmark. KLUE is a collection of eight Korean natural language understanding (NLU) tasks, including Topic Classification, Semantic Textual Similarity, Natural LanguageInference, Named Entity Recognition, Relation Extraction, Dependency P…
Despite transformers’ impressive accuracy, their computational cost is often prohibitive to use with limited computational resources. Most previous approaches to improve inference efficiency require a separate model for each possible computational budget. In this paper, we extend PoWER-BERT (Goyal e…
Neural autoregressive sequence models are used to generate sequences in a variety of natural language processing (NLP) tasks, where they are evaluated according to sequence-level task losses. These models are typically trained with maximum likelihood estimation, which ignores the task loss, yet empi…
Understanding and creating mathematics using natural mathematical language - the mixture of symbolic and natural language used by humans - is a challenging and important problem for driving progress in machine learning. As a step in this direction, we develop NaturalProofs, a multi-domain corpus of…
We introduce a method to determine if a certain capability helps to achieve an accurate model of given data. We view labels as being generated from the inputs by a program composed of subroutines with different capabilities, and we posit that a subroutine is useful if and only if the minimal program…
Event schemas encode knowledge of stereotypical structures of events and their connections. As events unfold, schemas are crucial to act as a scaffolding. Previous work on event schema induction focuses either on atomic events or linear temporal event sequences, ignoring the interplay between events…
Pretrained language models (LMs) perform well on many tasks even when learning from a few examples, but prior work uses many held-out examples to tune various aspects of learning, such as hyperparameters, training objectives, and natural language templates ("prompts"). Here, we evaluate the few-shot…
In this paper we consider self-supervised representation learning to improve sample efficiency in reinforcement learning (RL). We propose a forward prediction objective for simultaneously learning embeddings of states and actions. These embeddings capture the structure of the environment's dynamics,…
The interaction of conversational systems with users poses an exciting opportunity for improving them after deployment, but little evidence has been provided of its feasibility. In most applications, users are not able to provide the correct answer to the system, but they are able to provide binary…
In natural language processing, it has been observed recently that generalization could be greatly improved by finetuning a large-scale language model pretrained on a large unlabeled corpus. Despite its recent success and wide adoption, finetuning a large pretrained language model on a downstream ta…
Neural text generation is a key tool in natural language applications, but it is well known there are major problems at its core. In particular, standard likelihood training and decoding leads to dull and repetitive outputs. While some post-hoc fixes have been proposed, in particular top-k and nucle…
Neural network-based generative language models like ELMo and BERT can work effectively as general purpose sentence encoders in text classification without further fine-tuning. Is it possible to adapt them in a similar way for use as general-purpose decoders? For this to be possible, it would need…
Variational autoencoders (VAEs) have shown a promise in data-driven conversation modeling. However, most VAE conversation models match the approximate posterior distribution over the latent variables to a simple prior such as standard normal distribution, thereby restricting the generated responses…
Standard sequential generation methods assume a pre-specified generation order, such as text generation methods which generate words from left to right. In this work, we propose a framework for training models of text generation that operate in non-monotonic orders; the model directly learns good or…
We propose a retrieval-augmented convolutional network (RaCNN) and propose to train it with local mixup, a novel variant of the recently proposed mixup algorithm. The proposed hybrid architecture combining a convolutional network and an off-the-shelf retrieval engine was designed to mitigate the adv…
Generative adversarial networks are a learning framework that rely on training a discriminator to estimate a measure of difference between a target and generated distributions. GANs, as normally formulated, rely on the generated samples being completely differentiable w.r.t. the generative parameter…
Breast density classification is an essential part of breast cancer screening. Although a lot of prior work considered this problem as a task for learning algorithms, to our knowledge, all of them used small and not clinically realistic data both for training and evaluation of their models. In this…
Inspired by previous work on emergent communication in referential games, we propose a novel multi-modal, multi-step referential game, where the sender and receiver have access to distinct modalities of an object, and their information exchange is bidirectional and of arbitrary duration. The multi-…
While most machine translation systems to date are trained on large parallel corpora, humans learn language in a different way: by being grounded in an environment and interacting with other humans. In this work, we propose a communication game where two agents, native speakers of their own respecti…
We study the problem of multiset prediction. The goal of multiset prediction is to train a predictor that maps an input to a multiset consisting of multiple items. Unlike existing problems in supervised learning, such as classification, ranking and sequence generation, there is no known order among…
In spite of the recent success of neural machine translation (NMT) in standard benchmarks, the lack of large parallel corpora poses a major practical problem for many language pairs. There have been several proposals to alleviate this issue with, for instance, triangulation and semi-supervised learn…
We introduce a convolutional recurrent neural network (CRNN) for music tagging. CRNNs take advantage of convolutional neural networks (CNNs) for local feature extraction and recurrent neural networks for temporal summarisation of the extracted features. We compare CRNN with three CNN structures that…
Humans process visual scenes selectively and sequentially using attention. Central to models of human visual attention is the saliency map. We propose a hierarchical visual architecture that operates on a saliency map and uses a novel attention mechanism to sequentially focus on salient regions and…
We propose a goal-driven web navigation as a benchmark task for evaluating an agent with abilities to understand natural language and plan on partially observed environments. In this challenging task, an agent navigates through a website, which is represented as a graph consisting of web pages as no…
Variational methods that rely on a recognition network to approximate the posterior of directed graphical models offer better inference and learning than previous methods. Recent advances that exploit the capacity and flexibility in this approach have expanded what kinds of models can be trained. Ho…
Recurrent sequence generators conditioned on input data through an attention mechanism have recently shown very good performance on a range of tasks including machine translation, handwriting synthesis and image caption generation. We extend the attention-mechanism with features needed for speech re…
Recent progress in using recurrent neural networks (RNNs) for image description has motivated the exploration of their application for video description. However, while images are static, working with videos requires modeling their dynamic temporal structure and then properly integrating that inform…
In this work, we propose a novel recurrent neural network (RNN) architecture. The proposed RNN, gated-feedback RNN (GF-RNN), extends the existing approach of stacking multiple recurrent layers by allowing and controlling signals flowing from upper recurrent layers to lower layers using a global gati…
Inspired by recent work in machine translation and object detection, we introduce an attention based model that automatically learns to describe the content of images. We describe how we can train this model in a deterministic manner using standard backpropagation techniques and stochastically by ma…