NeurIPS 2024 Papers

A core task in multi-modal learning is to integrate information from multiple feature spaces (e.g., text and audio), offering modality-invariant essential representations of data. Recent research showed that, classical tools such as canonical correlation analysis (CCA) provably identify the shared components up to minor ambiguities, when samples in each modality are generated from a linear mixture of shared and private components. Such identifiability results were obtained under the condition that the cross-modality samples are aligned/paired according to their shared information. This work takes a step further, investigating shared component identifiability from multi-modal linear mixtures where cross-modality samples are unaligned. A distribution divergence minimization-based loss is proposed, under which a suite of sufficient conditions ensuring identifiability of the shared components are derived. Our conditions are based on cross-modality distribution discrepancy characterization and density-preserving transform removal, which are much milder than existing studies relying on independent component analysis. More relaxed conditions are also provided via adding reasonable structural constraints, motivated by available side information in various applications. The identifiability claims are thoroughly validated using synthetic and real-world data.

In-context learning (ICL) refers to a remarkable capability of pretrained large language models, which can learn a new task given a few examples during inference. However, theoretical understanding of ICL is largely under-explored, particularly whether transformers can be trained to generalize to unseen examples in a prompt, which will require the model to acquire contextual knowledge of the prompt for generalization. This paper investigates the training dynamics of transformers by gradient descent through the lens of non-linear regression tasks. The contextual generalization here can be attained via learning the template function for each task in-context, where all template functions lie in a linear space with $m$ basis functions. We analyze the training dynamics of one-layer multi-head transformers to {in-contextly} predict unlabeled inputs given partially labeled prompts, where the labels contain Gaussian noise and the number of examples in each prompt are not sufficient to determine the template. Under mild assumptions, we show that the training loss for a one-layer multi-head transformer converges linearly to a global minimum. Moreover, the transformer effectively learns to perform ridge regression over the basis functions. To our knowledge, this study is the first provable demonstration that transformers can learn contextual (i.e., template) information to generalize to both unseen examples and tasks when prompts contain only a small number of query-answer pairs.

In this paper, we present a novel data-free method for merging neural networks in weight space. Our method optimizes for the permutations of network neurons while ensuring global coherence across all layers, and it outperforms recent layer-local approaches in a set of challenging scenarios. We then generalize the formulation to the $N$-models scenario to enforce cycle consistency of the permutations with guarantees, allowing circular compositions of permutations to be computed without accumulating error along the path. We qualitatively and quantitatively motivate the need for such a constraint, showing its benefits when merging homogeneous sets of models in scenarios spanning varying architectures and datasets. We finally show that, when coupled with activation renormalization, the approach yields the best results in the task.

Pre-trained large language models (LLMs) exhibit impressive mathematical reasoning capabilities, yet how they compute basic arithmetic, such as addition, remains unclear. This paper shows that pre-trained LLMs add numbers using Fourier features---dimensions in the hidden state that represent numbers via a set of features sparse in the frequency domain. Within the model, MLP and attention layers use Fourier features in complementary ways: MLP layers primarily approximate the magnitude of the answer using low-frequency features, while attention layers primarily perform modular addition (e.g., computing whether the answer is even or odd) using high-frequency features. Pre-training is crucial for this mechanism: models trained from scratch to add numbers only exploit low-frequency features, leading to lower accuracy. Introducing pre-trained token embeddings to a randomly initialized model rescues its performance. Overall, our analysis demonstrates that appropriate pre-trained representations (e.g., Fourier features) can unlock the ability of Transformers to learn precise mechanisms for algorithmic tasks.

Multimodal representation learning techniques typically require paired samples to learn shared representations, but collecting paired samples can be challenging in fields like biology, where measurement devices often destroy the samples. This paper presents an approach to address the challenge of aligning unpaired samples across disparate modalities in multimodal representation learning. We draw an analogy between potential outcomes in causal inference and potential views in multimodal observations, allowing us to leverage Rubin's framework to estimate a common space for matching samples. Our approach assumes experimentally perturbed samples by treatments, and uses this to estimate a propensity score from each modality. We show that the propensity score encapsulates all shared information between a latent state and treatment, and can be used to define a distance between samples. We experiment with two alignment techniques that leverage this distance---shared nearest neighbours (SNN) and optimal transport (OT) matching---and find that OT matching results in significant improvements over state-of-the-art alignment approaches in on synthetic multi-modal tasks, in real-world data from NeurIPS Multimodal Single-Cell Integration Challenge, and on a single cell microscopy to expression prediction task.

Perceptual learning refers to the practices through which participants learn to improve their performance in perceiving sensory stimuli. Two seemingly conflicting phenomena of specificity and transfer have been widely observed in perceptual learning. Here, we propose a dual-learning model to reconcile these two phenomena. The model consists of two learning processes. One is task-based learning, which is fast and enables the brain to adapt to a task rapidly by using existing feature representations. The other is feature-based learning, which is slow and enables the brain to improve feature representations to match the statistical change of the environment. Associated with different training paradigms, the interactions between these two learning processes induce the rich phenomena of perceptual learning. Specifically, in the training paradigm where the same stimulus condition is presented excessively, feature-based learning is triggered, which incurs specificity, while in the paradigm where the stimulus condition varies during the training, task-based learning dominates to induce the transfer effect. As the number of training sessions under the same stimulus condition increases, a transition from transfer to specificity occurs. We demonstrate that the dual-learning model can account for both the specificity and transfer phenomena observed in classical psychophysical experiments. We hope that this study gives us insight into understanding how the brain balances the accomplishment of a new task and the consumption of learning effort.

Current techniques for detecting AI-generated text are largely confined to manual feature crafting and supervised binary classification paradigms. These methodologies typically lead to performance bottlenecks and unsatisfactory generalizability. Consequently, these methods are often inapplicable for out-of-distribution (OOD) data and newly emerged large language models (LLMs). In this paper, we revisit the task of AI-generated text detection. We argue that the key to accomplishing this task lies in distinguishing writing styles of different authors, rather than simply classifying the text into human-written or AI-generated text. To this end, we propose DeTeCtive, a multi-task auxiliary, multi-level contrastive learning framework. DeTeCtive is designed to facilitate the learning of distinct writing styles, combined with a dense information retrieval pipeline for AI-generated text detection. Our method is compatible with a range of text encoders. Extensive experiments demonstrate that our method enhances the ability of various text encoders in detecting AI-generated text across multiple benchmarks and achieves state-of-the-art results. Notably, in OOD zero-shot evaluation, our method outperforms existing approaches by a large margin. Moreover, we find our method boasts a Training-Free Incremental Adaptation (TFIA) capability towards OOD data, further enhancing its efficacy in OOD detection scenarios. We will open-source our code and models in hopes that our work will spark new thoughts in the field of AI-generated text detection, ensuring safe application of LLMs and enhancing compliance.

In recent years, the remarkable progress of large language models (LLMs) has sparked interest in task automation, which involves decomposing complex tasks described by user instructions into sub-tasks and invoking external tools to execute them, playing a central role in autonomous agents. However, there is a lack of systematic and standardized benchmarks to promote the development of LLMs in task automation. To address this, we introduce TaskBench, a comprehensive framework to evaluate the capability of LLMs in task automation. Specifically, task automation can be divided into three critical stages: task decomposition, tool selection, and parameter prediction. To tackle the complexities inherent in these stages, we introduce the concept of Tool Graph to represent decomposed tasks and adopt a back-instruct method to generate high-quality user instructions. We propose TaskEval, a multi-faceted evaluation methodology that assesses LLM performance across these three stages. Our approach combines automated construction with rigorous human verification, ensuring high consistency with human evaluation. Experimental results demonstrate that TaskBench effectively reflects the capabilities of various LLMs in task automation. It provides insights into model performance across different task complexities and domains, pushing the boundaries of what current models can achieve. TaskBench offers a scalable, adaptable, and reliable benchmark for advancing LLM-based autonomous agents.

Disaggregated evaluation—estimation of performance of a machine learning model on different subpopulations—is a core task when assessing performance and group-fairness of AI systems. A key challenge is that evaluation data is scarce, and subpopulations arising from intersections of attributes (e.g., race, sex, age) are often tiny. Today, it is common for multiple clients to procure the same AI model from a model developer, and the task of disaggregated evaluation is faced by each customer individually. This gives rise to what we call the *multi-task disaggregated evaluation problem*, wherein multiple clients seek to conduct a disaggregated evaluation of a given model in their own data setting (task). In this work we develop a disaggregated evaluation method called **SureMap** that has high estimation accuracy for both multi-task *and* single-task disaggregated evaluations of blackbox models. SureMap's efficiency gains come from (1) transforming the problem into structured simultaneous Gaussian mean estimation and (2) incorporating external data, e.g., from the AI system creator or from their other clients. Our method combines *maximum a posteriori* (MAP) estimation using a well-chosen prior together with cross-validation-free tuning via Stein's unbiased risk estimate (SURE). We evaluate SureMap on disaggregated evaluation tasks in multiple domains, observing significant accuracy improvements over several strong competitors.

Goal-directed planning presents a challenge for classical RL algorithms due to the vastness of the combinatorial state and goal spaces, while humans and animals adapt to complex environments, especially with diverse, non-stationary objectives, often employing intermediate goals for long-horizon tasks. Here, we propose a goal reduction mechanism for effectively deriving subgoals from arbitrary and distant original goals, using a novel loop-removal technique. The product of the method, called goal-reducer, distills high-quality subgoals from a replay buffer, all without the need for prior global environmental knowledge. Simulations show that the goal-reducer can be integrated into RL frameworks like Deep Q-learning and Soft Actor-Critic. It accelerates performance in both discrete and continuous action space tasks, such as grid world navigation and robotic arm manipulation, relative to the corresponding standard RL models. Moreover, the goal-reducer, when combined with a local policy, without iterative training, outperforms its integrated deep RL counterparts in solving a navigation task. This goal reduction mechanism also models human problem-solving. Comparing the model's performance and activation with human behavior and fMRI data in a treasure hunting task, we found matching representational patterns between an goal-reducer agent's components and corresponding human brain areas, particularly the vmPFC and basal ganglia. The results suggest that humans may use a similar computational framework for goal-directed behaviors.

Neural networks are often trained on multiple tasks, either simultaneously (multi-task learning, MTL) or sequentially (pretraining and subsequent finetuning, PT+FT). In particular, it is common practice to pretrain neural networks on a large auxiliary task before finetuning on a downstream task with fewer samples. Despite the prevalence of this approach, the inductive biases that arise from learning multiple tasks are poorly characterized. In this work, we address this gap. We describe novel implicit regularization penalties associated with MTL and PT+FT in diagonal linear networks and single-hidden-layer ReLU networks. These penalties indicate that MTL and PT+FT induce the network to reuse features in different ways. 1) Both MTL and PT+FT exhibit biases towards feature reuse between tasks, and towards sparsity in the set of learned features. We show a "conservation law" that implies a direct tradeoff between these two biases. 2) PT+FT exhibits a novel "nested feature selection" regime, not described by either the "lazy" or "rich" regimes identified in prior work, which biases it to *rely on a sparse subset* of the features learned during pretraining. This regime is much narrower for MTL. 3) PT+FT (but not MTL) in ReLU networks benefits from features that are correlated between the auxiliary and main task. We confirm these findings empirically with teacher-student models, and introduce a technique -- weight rescaling following pretraining -- that can elicit the nested feature selection regime. Finally, we validate our theory in deep neural networks trained on image classification. We find that weight rescaling improves performance when it causes models to display signatures of nested feature selection. Our results suggest that nested feature selection may be an important inductive bias for finetuning neural networks.

Data, the seminal opportunity and challenge in modern machine learning, currently constrains the scalability of representation learning and impedes the pace of model evolution. In this work, we investigate the efficiency properties of data from both optimization and generalization perspectives. Our theoretical and empirical analysis reveals an unexpected finding: for a given task, utilizing a publicly available, task- and architecture-agnostic model (referred to as the `prior model' in this paper) can effectively produce efficient data. Building on this insight, we propose the Representation Learning Accelerator (ReLA), which promotes the formation and utilization of efficient data, thereby accelerating representation learning. Utilizing a ResNet-18 pre-trained on CIFAR-10 as a prior model to inform ResNet-50 training on ImageNet-1K reduces computational costs by $50\%$ while maintaining the same accuracy as the model trained with the original BYOL, which requires $100\%$ cost. Our code is available at: \url{https://github.com/LINs-lab/ReLA}.

Given the complexities inherent in visual scenes, such as object occlusion, a comprehensive understanding often requires observation from multiple viewpoints. Existing multi-viewpoint object-centric learning methods typically employ random or sequential viewpoint selection strategies. While applicable across various scenes, these strategies may not always be ideal, as certain scenes could benefit more from specific viewpoints. To address this limitation, we propose a novel active viewpoint selection strategy. This strategy predicts images from unknown viewpoints based on information from observation images for each scene. It then compares the object-centric representations extracted from both viewpoints and selects the unknown viewpoint with the largest disparity, indicating the greatest gain in information, as the next observation viewpoint. Through experiments on various datasets, we demonstrate the effectiveness of our active viewpoint selection strategy, significantly enhancing segmentation and reconstruction performance compared to random viewpoint selection. Moreover, our method can accurately predict images from unknown viewpoints.

Recently, rapid advancements in Multi-Modal In-Context Learning (MM-ICL) have achieved notable success, which is capable of achieving superior performance across various tasks without requiring additional parameter tuning. However, the underlying rules for the effectiveness of MM-ICL remain under-explored. To fill this gap, this work aims to investigate the research question: "_What factors affect the performance of MM-ICL?_" To this end, we investigate extensive experiments on the three core steps of MM-ICL including demonstration retrieval, demonstration ordering, and prompt construction using 6 vision large language models and 20 strategies. Our findings highlight (1) the necessity of a multi-modal retriever for demonstration retrieval, (2) the importance of intra-demonstration ordering over inter-demonstration ordering, and (3) the enhancement of task comprehension through introductory instructions in prompts. We hope this study can serve as a foundational guide for optimizing MM-ICL strategies in future research.

Multi-modal contrastive representation (MCR) of more than three modalities is critical in multi-modal learning. Although recent methods showcase impressive achievements, the high dependence on large-scale, high-quality paired data and the expensive training costs limit their further development. Inspired by recent C-MCR, this paper proposes $\textbf{Ex}$tending $\textbf{M}$ultimodal $\textbf{C}$ontrastive $\textbf{R}$epresentation (Ex-MCR), a training-efficient and paired-data-free method to build unified contrastive representation for many modalities. Since C-MCR is designed to learn a new latent space for the two non-overlapping modalities and projects them onto this space, a significant amount of information from their original spaces is lost in the projection process. To address this issue, Ex-MCR proposes to extend one modality's space into the other's, rather than mapping both modalities onto a completely new space. This method effectively preserves semantic alignment in the original space. Experimentally, we extend pre-trained audio-text and 3D-image representations to the existing vision-text space. Without using paired data, Ex-MCR achieves comparable performance to advanced methods on a series of audio-image-text and 3D-image-text tasks and achieves superior performance when used in parallel with data-driven methods. Moreover, semantic alignment also emerges between the extended modalities (e.g., audio and 3D).

Electronic health records (EHRs) are stored in various database systems with different database models on heterogeneous storage architectures, such as relational databases, document stores, or graph databases. These different database models have a big impact on query complexity and performance. While this has been a known fact in database research, its implications for the growing number of Text-to-Query systems have surprisingly not been investigated so far. In this paper, we present SM3-Text-to-Query, the first multi-model medical Text-to-Query benchmark based on synthetic patient data from Synthea, following the SNOMED-CT taxonomy---a widely used knowledge graph ontology covering medical terminology. SM3-Text-to-Query provides data representations for relational databases (PostgreSQL), document stores (MongoDB), and graph databases (Neo4j and GraphDB (RDF)), allowing the evaluation across four popular query languages, namely SQL, MQL, Cypher, and SPARQL. We systematically and manually develop 408 template questions, which we augment to construct a benchmark of 10K diverse natural language question/query pairs for these four query languages (40K pairs overall). On our dataset, we evaluate several common in-context-learning (ICL) approaches for a set of representative closed and open-source LLMs. Our evaluation sheds light on the trade-offs between database models and query languages for different ICL strategies and LLMs. Last, SM3-Text-to-Query is easily extendable to additional query languages or real, standard-based patient databases.

Language models trained on diverse datasets unlock generalization by in-context learning. Reinforcement Learning (RL) policies can achieve a similar effect by meta-learning within the memory of a sequence model. However, meta-RL research primarily focuses on adapting to minor variations of a single task. It is difficult to scale towards more general behavior without confronting challenges in multi-task optimization, and few solutions are compatible with meta-RL's goal of learning from large training sets of unlabeled tasks. To address this challenge, we revisit the idea that multi-task RL is bottlenecked by imbalanced training losses created by uneven return scales across different tasks. We build upon recent advancements in Transformer-based (in-context) meta-RL and evaluate a simple yet scalable solution where both an agent's actor and critic objectives are converted to classification terms that decouple optimization from the current scale of returns. Large-scale comparisons in Meta-World ML45, Multi-Game Procgen, Multi-Task POPGym, Multi-Game Atari, and BabyAI find that this design unlocks significant progress in online multi-task adaptation and memory problems without explicit task labels.

Deep learning based neural decoding from stereotactic electroencephalography (sEEG) would likely benefit from scaling up both dataset and model size. To achieve this, combining data across multiple subjects is crucial. However, in sEEG cohorts, each subject has a variable number of electrodes placed at distinct locations in their brain, solely based on clinical needs. Such heterogeneity in electrode number/placement poses a significant challenge for data integration, since there is no clear correspondence of the neural activity recorded at distinct sites between individuals. Here we introduce seegnificant: a training framework and architecture that can be used to decode behavior across subjects using sEEG data. We tokenize the neural activity within electrodes using convolutions and extract long-term temporal dependencies between tokens using self-attention in the time dimension. The 3D location of each electrode is then mixed with the tokens, followed by another self-attention in the electrode dimension to extract effective spatiotemporal neural representations. Subject-specific heads are then used for downstream decoding tasks. Using this approach, we construct a multi-subject model trained on the combined data from 21 subjects performing a behavioral task. We demonstrate that our model is able to decode the trial-wise response time of the subjects during the behavioral task solely from neural data. We also show that the neural representations learned by pretraining our model across individuals can be transferred in a few-shot manner to new subjects. This work introduces a scalable approach towards sEEG data integration for multi-subject model training, paving the way for cross-subject generalization for sEEG decoding.

Zero-Shot Object Goal Navigation (ZS-OGN) enables robots to navigate toward objects of unseen categories without prior training. Traditional approaches often leverage categorical semantic information for navigation guidance, which struggles when only partial objects are observed or detailed and functional representations of the environment are lacking. To resolve the above two issues, we propose \textit{Geometric-part and Affordance Maps} (GAMap), a novel method that integrates object parts and affordance attributes for navigation guidance. Our method includes a multi-scale scoring approach to capture geometric-part and affordance attributes of objects at different scales. Comprehensive experiments conducted on the HM3D and Gibson benchmark datasets demonstrate improvements in Success Rates and Success weighted by Path Length, underscoring the efficacy of our geometric-part and affordance-guided navigation approach in enhancing robot autonomy and versatility, without any additional task-specific training or fine-tuning with the semantics of unseen objects and/or the locomotions of the robot.