NeurIPS 2024 Papers

This study introduces the Federated Medical Knowledge Injection (FedMEKI) platform, a new benchmark designed to address the unique challenges of integrating medical knowledge into foundation models under privacy constraints. By leveraging a cross-silo federated learning approach, FedMEKI circumvents the issues associated with centralized data collection, which is often prohibited under health regulations like the Health Insurance Portability and Accountability Act (HIPAA) in the USA. The platform is meticulously designed to handle multi-site, multi-modal, and multi-task medical data, which includes 7 medical modalities, including images, signals, texts, laboratory test results, vital signs, input variables, and output variables. The curated dataset to validate FedMEKI covers 8 medical tasks, including 6 classification tasks (lung opacity detection, COVID-19 detection, electrocardiogram (ECG) abnormal detection, mortality prediction, sepsis protection, and enlarged cardiomediastinum detection) and 2 generation tasks (medical visual question answering (MedVQA) and ECG noise clarification). This comprehensive dataset is partitioned across several clients to facilitate the decentralized training process under 16 benchmark approaches. FedMEKI not only preserves data privacy but also enhances the capability of medical foundation models by allowing them to learn from a broader spectrum of medical knowledge without direct data exposure, thereby setting a new benchmark in the application of foundation models within the healthcare sector.

As the usage of large language models (LLMs) grows, it becomes increasingly important to serve them quickly and efficiently. While speculative decoding has recently emerged as a promising direction for accelerating LLM serving, existing methods are limited in their ability to scale to larger speculation budgets and adapt to different hyperparameters. This paper introduces Sequoia, a scalable and robust algorithm for speculative decoding. To improve scalability, Sequoia introduces a dynamic programming algorithm to find an optimal tree structure for the speculated tokens. To achieve robust speculative decoding, Sequoia uses a novel sampling and verification method that outperforms prior work across different decoding temperatures. Sequoia improves the decoding speed of Llama2-7B, Llama2-13B, and Vicuna-33B on an A100 GPU by up to $4.04\times$, $3.73\times$, and $2.27 \times$. To serve Llama3-70B-Instruct on a single L40 GPU through offloading, Sequoia reduces the per-token decoding latency to 0.60 s/token, $9.5\times$ faster than DeepSpeed-Zero-Inference.

Current vision models typically maintain a fixed correspondence between their representation structure and image space. Each layer comprises a set of tokens arranged “on-the-grid,” which biases patches or tokens to encode information at a specific spatio(-temporal) location. In this work we present *Moving Off-the-Grid* (MooG), a self-supervised video representation model that offers an alternative approach, allowing tokens to move “off-the-grid” to better enable them to represent scene elements consistently, even as they move across the image plane through time. By using a combination of cross-attention and positional embeddings we disentangle the representation structure and image structure. We find that a simple self-supervised objective—next frame prediction—trained on video data, results in a set of latent tokens which bind to specific scene structures and track them as they move. We demonstrate the usefulness of MooG’s learned representation both qualitatively and quantitatively by training readouts on top of the learned representation on a variety of downstream tasks. We show that MooG can provide a strong foundation for different vision tasks when compared to “on-the-grid” baselines.

To ensure large language models (LLMs) are used safely, one must reduce their propensity to hallucinate or to generate unacceptable answers. A simple and often used strategy is to first let the LLM generate multiple hypotheses and then employ a reranker to choose the best one. In this paper, we draw a parallel between this strategy and the use of redundancy to decrease the error rate in noisy communication channels. We conceptualize the generator as a sender transmitting multiple descriptions of a message through parallel noisy channels. The receiver decodes the message by ranking the (potentially corrupted) descriptions and selecting the one found to be most reliable. We provide conditions under which this protocol is asymptotically error-free (i.e., yields an acceptable answer almost surely) even in scenarios where the reranker is imperfect (governed by Mallows or Zipf-Mandelbrot models) and the channel distributions are statistically dependent. We use our framework to obtain reranking laws which we validate empirically on two real-world tasks using LLMs: text-to-code generation with DeepSeek-Coder 7B and machine translation of medical data with TowerInstruct 13B.

Data selection has emerged as a core issue for large-scale visual-language model pretaining (e.g., CLIP), particularly with noisy web-curated datasets. Three main data selection approaches are: (1) leveraging external non-CLIP models to aid data selection, (2) training new CLIP-style embedding models that are more effective at selecting high-quality data than the original OpenAI CLIP model, and (3) designing better metrics or strategies universally applicable to any CLIP embedding without requiring specific model properties (e.g., CLIPScore is one popular metric). While the first two approaches have been extensively studied, the third remains under-explored. In this paper, we advance the third approach by proposing two new methods. Firstly, instead of classical CLIP scores that only consider the alignment between two modalities from a single sample, we introduce $\textbf{negCLIPLoss}$, a method inspired by CLIP training loss that adds the alignment between one sample and its contrastive pairs as an extra normalization term to CLIPScore for better quality measurement. Secondly, when downstream tasks are known, we propose a new norm-based metric, $\textbf{NormSim}$, to measure the similarity between pretraining data and target data. We test our methods on the data selection benchmark, DataComp [Gadre et al., 2023]. Compared to the best baseline using only OpenAI's CLIP-L/14, our methods achieve a 5.3\% improvement on ImageNet-1k and a 2.8\% improvement on 38 downstream evaluation tasks. Moreover, both $\textbf{negCLIPLoss}$ and $\textbf{NormSim}$ are compatible with existing techniques. By combining our methods with the current best methods DFN [Fang et al., 2023] and HYPE [Kim et al., 2024], we can boost average performance on downstream tasks by 0.9\%, achieving a new state-of-the-art on the DataComp-medium benchmark.

Recently, large language models (LLMs) have achieved superior performance, empowering the development of large multimodal agents (LMAs). An LMA is anticipated to execute practical tasks requires various capabilities including multimodal perception, interaction, reasoning, and decision making. However, existing benchmarks are limited in assessing compositional skills and actions demanded by practical scenarios, where they primarily focused on single tasks and static scenarios. To bridge this gap, we introduce WhodunitBench, a benchmark rooted from murder mystery games, where players are required to utilize the aforementioned skills to achieve their objective (i.e., identifying the `murderer' or hiding themselves), providing a simulated dynamic environment for evaluating LMAs. Specifically, WhodunitBench includes two evaluation modes. The first mode, the arena-style evaluation, is constructed from 50 meticulously curated scripts featuring clear reasoning clues and distinct murderers; The second mode, the chain of evaluation, consists of over 3000 curated multiple-choice questions and open-ended questions, aiming to assess every facet of the murder mystery games for LMAs. Experiments show that although current LMAs show acceptable performance in basic perceptual tasks, they are insufficiently equipped for complex multi-agent collaboration and multi-step reasoning tasks. Furthermore, the full application of the theory of mind to complete games in a manner akin to human behavior remains a significant challenge. We hope this work can illuminate the path forward, providing a solid foundation for the future development of LMAs. Our WhodunitBench is open-source and accessible at: https://github.com/ jun0wanan/WhodunitBench-Murder_Mystery_Games

Large language models (LLMs) are considered a crucial technology for advancing intelligent education since they exhibit the potential for an in-depth understanding of teaching scenarios and providing students with personalized guidance. Nonetheless, current LLM-based application in personalized teaching predominantly follows a "Question-Answering" paradigm, where students are passively provided with answers and explanations. In this paper, we propose SocraticLM, which achieves a Socratic "Thought-Provoking" teaching paradigm that fulfills the role of a real classroom teacher in actively engaging students in the thought process required for genuine problem-solving mastery. To build SocraticLM, we first propose a novel "Dean-Teacher-Student" multi-agent pipeline to construct a new dataset, SocraTeach, which contains $35$K meticulously crafted Socratic-style multi-round (equivalent to $208$K single-round) teaching dialogues grounded in fundamental mathematical problems. Our dataset simulates authentic teaching scenarios, interacting with six representative types of simulated students with different cognitive states, and strengthening four crucial teaching abilities. SocraticLM is then fine-tuned on SocraTeach with three strategies balancing its teaching and reasoning abilities. Moreover, we contribute a comprehensive evaluation system encompassing five pedagogical dimensions for assessing the teaching quality of LLMs. Extensive experiments verify that SocraticLM achieves significant improvements in the teaching performance, outperforming GPT4 by more than 12\%. Our dataset and code is available at https://github.com/Ljyustc/SocraticLM.

Backdoor attacks pose a significant threat to Deep Neural Networks (DNNs) as they allow attackers to manipulate model predictions with backdoor triggers. To address these security vulnerabilities, various backdoor purification methods have been proposed to purify compromised models. Typically, these purified models exhibit low Attack Success Rates (ASR), rendering them resistant to backdoored inputs. However, \textit{Does achieving a low ASR through current safety purification methods truly eliminate learned backdoor features from the pretraining phase?} In this paper, we provide an affirmative answer to this question by thoroughly investigating the \textit{Post-Purification Robustness} of current backdoor purification methods. We find that current safety purification methods are vulnerable to the rapid re-learning of backdoor behavior, even when further fine-tuning of purified models is performed using a very small number of poisoned samples. Based on this, we further propose the practical Query-based Reactivation Attack (QRA) which could effectively reactivate the backdoor by merely querying purified models. We find the failure to achieve satisfactory post-purification robustness stems from the insufficient deviation of purified models from the backdoored model along the backdoor-connected path. To improve the post-purification robustness, we propose a straightforward tuning defense, Path-Aware Minimization (PAM), which promotes deviation along backdoor-connected paths with extra model updates. Extensive experiments demonstrate that PAM significantly improves post-purification robustness while maintaining a good clean accuracy and low ASR. Our work provides a new perspective on understanding the effectiveness of backdoor safety tuning and highlights the importance of faithfully assessing the model's safety.

Electroencephalography (EEG) data is often collected from diverse contexts involving different populations and EEG devices. This variability can induce distribution shifts in the data $X$ and in the biomedical variables of interest $y$, thus limiting the application of supervised machine learning (ML) algorithms. While domain adaptation (DA) methods have been developed to mitigate the impact of these shifts, such methods struggle when distribution shifts occur simultaneously in $X$ and $y$. As state-of-the-art ML models for EEG represent the data by spatial covariance matrices, which lie on the Riemannian manifold of Symmetric Positive Definite (SPD) matrices, it is appealing to study DA techniques operating on the SPD manifold. This paper proposes a novel method termed Geodesic Optimization for Predictive Shift Adaptation (GOPSA) to address test-time multi-source DA for situations in which source domains have distinct $y$ distributions. GOPSA exploits the geodesic structure of the Riemannian manifold to jointly learn a domain-specific re-centering operator representing site-specific intercepts and the regression model. We performed empirical benchmarks on the cross-site generalization of age-prediction models with resting-state EEG data from a large multi-national dataset (HarMNqEEG), which included $14$ recording sites and more than $1500$ human participants. Compared to state-of-the-art methods, our results showed that GOPSA achieved significantly higher performance on three regression metrics ($R^2$, MAE, and Spearman's $\rho$) for several source-target site combinations, highlighting its effectiveness in tackling multi-source DA with predictive shifts in EEG data analysis. Our method has the potential to combine the advantages of mixed-effects modeling with machine learning for biomedical applications of EEG, such as multicenter clinical trials.

A natural strategy for continual learning is to weigh a Bayesian ensemble of fixed functions. This suggests that if a (single) neural network could be interpreted as an ensemble, one could design effective algorithms that learn without forgetting. To realize this possibility, we observe that a neural network classifier with N parameters can be interpreted as a weighted ensemble of N classifiers, and that in the lazy regime limit these classifiers are fixed throughout learning. We call these classifiers the *neural tangent experts* and show they output valid probability distributions over the labels. We then derive the likelihood and posterior probability of each expert given past data. Surprisingly, the posterior updates for these experts are equivalent to a scaled and projected form of stochastic gradient descent (SGD) over the network weights. Away from the lazy regime, networks can be seen as ensembles of adaptive experts which improve over time. These results offer a new interpretation of neural networks as Bayesian ensembles of experts, providing a principled framework for understanding and mitigating catastrophic forgetting in continual learning settings.

We investigate the radioactivity of text generated by large language models (LLM), \ie whether it is possible to detect that such synthetic input was used to train a subsequent LLM. Current methods like membership inference or active IP protection either work only in settings where the suspected text is known or do not provide reliable statistical guarantees. We discover that, on the contrary, it is possible to reliably determine if a language model was trained on synthetic data if that data is output by a watermarked LLM. Our new methods, specialized for radioactivity, detects with a provable confidence weak residuals of the watermark signal in the fine-tuned LLM. We link the radioactivity contamination level to the following properties: the watermark robustness, its proportion in the training set, and the fine-tuning process. For instance, if the suspect model is open-weight, we demonstrate that training on watermarked instructions can be detected with high confidence ($p$-value $< 10^{-5}$) even when as little as $5\%$ of training text is watermarked.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various domains and are moving towards more specialized areas. Recent advanced proprietary models such as GPT-4 and Gemini have achieved significant advancements in biomedicine, which have also raised privacy and security challenges. The construction of specialized generalists hinges largely on high-quality datasets, enhanced by techniques like supervised fine-tuning and reinforcement learning from human or AI feedback, and direct preference optimization. However, these leading technologies (e.g., preference learning) are still significantly limited in the open source community due to the scarcity of specialized data. In this paper, we present the UltraMedical collections, which consist of high-quality manual and synthetic datasets in the biomedicine domain, featuring preference annotations across multiple advanced LLMs. By utilizing these datasets, we fine-tune a suite of specialized medical models based on Llama-3 series, demonstrating breathtaking capabilities across various medical benchmarks. Moreover, we develop powerful reward models skilled in biomedical and general reward benchmark, enhancing further online preference learning within the biomedical LLM community.

Diffusion models (DMs) have demonstrated remarkable proficiency in producing images based on textual prompts. Numerous methods have been proposed to ensure these models generate safe images. Early methods attempt to incorporate safety filters into models to mitigate the risk of generating harmful images but such external filters do not inherently detoxify the model and can be easily bypassed. Hence, model unlearning and data cleaning are the most essential methods for maintaining the safety of models, given their impact on model parameters. However, malicious fine-tuning can still make models prone to generating harmful or undesirable images even with these methods. Inspired by the phenomenon of catastrophic forgetting, we propose a training policy using contrastive learning to increase the latent space distance between clean and harmful data distribution, thereby protecting models from being fine-tuned to generate harmful images due to forgetting. The experimental results demonstrate that our methods not only maintain clean image generation capabilities before malicious fine-tuning but also effectively prevent DMs from producing harmful images after malicious fine-tuning. Our method can also be combined with other safety methods to maintain their safety against malicious fine-tuning further.

The quadratic unconstrained binary optimization (QUBO) is a well-known NP-hard problem that takes an $n\times n$ matrix $Q$ as input and decides an $n$-dimensional 0-1 vector $x$, to optimize a quadratic function. Existing learning-based models that always formulate the solution process as sequential decisions suffer from high computational overload. To overcome this issue, we propose a neural solver called the Value Classification Model (VCM) that formulates the solution process from a classification perspective. It applies a Depth Value Network (DVN) based on graph convolution that exploits the symmetry property in $Q$ to auto-grasp value features. These features are then fed into a Value Classification Network (VCN) which directly generates classification solutions. Trained by a highly efficient model-tailored Greedy-guided Self Trainer (GST) which does not require any priori optimal labels, VCM significantly outperforms competitors in both computational efficiency and solution quality with a remarkable generalization ability. It can achieve near-optimal solutions in milliseconds with an average optimality gap of just 0.362\% on benchmarks with up to 2500 variables. Notably, a VCM trained at a specific DVN depth can steadily find better solutions by simply extending the testing depth, which narrows the gap to 0.034\% on benchmarks. To our knowledge, this is the first learning-based model to reach such a performance.

Semi-implicit variational inference (SIVI) enriches the expressiveness of variational families by utilizing a kernel and a mixing distribution to hierarchically define the variational distribution. Existing SIVI methods parameterize the mixing distribution using implicit distributions, leading to intractable variational densities. As a result, directly maximizing the evidence lower bound (ELBO) is not possible, so they resort to one of the following: optimizing bounds on the ELBO, employing costly inner-loop Markov chain Monte Carlo runs, or solving minimax objectives. In this paper, we propose a novel method for SIVI called Particle Variational Inference (PVI) which employs empirical measures to approximate the optimal mixing distributions characterized as the minimizer of a free energy functional. PVI arises naturally as a particle approximation of a Euclidean–Wasserstein gradient flow and, unlike prior works, it directly optimizes the ELBO whilst making no parametric assumption about the mixing distribution. Our empirical results demonstrate that PVI performs favourably compared to other SIVI methods across various tasks. Moreover, we provide a theoretical analysis of the behaviour of the gradient flow of a related free energy functional: establishing the existence and uniqueness of solutions as well as propagation of chaos results.

Modern generative models demonstrate impressive capabilities, likely stemming from an ability to identify and manipulate abstract concepts underlying their training data. However, fundamental questions remain: what determines the concepts a model learns, the order in which it learns them, and its ability to manipulate those concepts? To address these questions, we propose analyzing a model’s learning dynamics via a framework we call the concept space, where each axis represents an independent concept underlying the data generating process. By characterizing learning dynamics in this space, we identify how the speed at which a concept is learned, and hence the order of concept learning, is controlled by properties of the data we term concept signal. Further, we observe moments of sudden turns in the direction of a model’s learning dynamics in concept space. Surprisingly, these points precisely correspond to the emergence of hidden capabilities, i.e., where latent interventions show the model possesses the capability to manipulate a concept, but these capabilities cannot yet be elicited via naive input prompting. While our results focus on synthetically defined toy datasets, we hypothesize a general claim on emergence of hidden capabilities may hold: generative models possess latent capabilities that emerge suddenly and consistently during training, though a model might not exhibit these capabilities under naive input prompting.

Interpretability studies often involve tracing the flow of information through machine learning models to identify specific model components that perform relevant computations for tasks of interest. Prior work quantifies the importance of a model component on a particular task by measuring the impact of performing ablation on that component, or simulating model inference with the component disabled. We propose a new method, optimal ablation (OA), and show that OA-based component importance has theoretical and empirical advantages over measuring importance via other ablation methods. We also show that OA-based component importance can benefit several downstream interpretability tasks, including circuit discovery, localization of factual recall, and latent prediction.

In Economics, the concept of externality refers to any indirect effect resulting from an interaction between players and affecting a third party without compensation. Most of the models within which externality has been studied assume that agents have perfect knowledge of their environment and preferences. This is a major hindrance to the practical implementation of many proposed solutions. To adress this issue, we consider a two-players bandit game setting where the actions of one of the player affect the other one. Building upon this setup, we extend the Coase theorem [Coase, 2013], which suggests that the optimal approach for maximizing the social welfare in the presence of externality is to establish property rights, i.e., enabling transfers and bargaining between the players. Nonetheless, this fundamental result relies on the assumption that bargainers possess perfect knowledge of the underlying game. We first demonstrate that in the absence of property rights in the considered online scenario, the social welfare breaks down. We then provide a policy for the players, which allows them to learn a bargaining strategy which maximizes the total welfare, recovering the Coase theorem under uncertainty.

We define maximum entropy goal-directedness (MEG), a formal measure of goal- directedness in causal models and Markov decision processes, and give algorithms for computing it. Measuring goal-directedness is important, as it is a critical element of many concerns about harm from AI. It is also of philosophical interest, as goal-directedness is a key aspect of agency. MEG is based on an adaptation of the maximum causal entropy framework used in inverse reinforcement learning. It can measure goal-directedness with respect to a known utility function, a hypothesis class of utility functions, or a set of random variables. We prove that MEG satisfies several desiderata and demonstrate our algorithms with small-scale experiments.