NeurIPS 2023 Papers

In the quest to advance human-centric natural language generation (NLG) systems, ensuring alignment between NLG models and human preferences is crucial. For this alignment, current popular methods leverage a reinforcement learning (RL) approach with a reward model trained on feedback from humans. However, inherent disagreements due to the subjective nature of human preferences pose a significant challenge for training the reward model, resulting in a deterioration of the NLG performance. To tackle this issue, previous approaches typically rely on majority voting or averaging to consolidate multiple inconsistent preferences into a merged one. Although straightforward to understand and execute, such methods suffer from an inability to capture the nuanced degrees of disaggregation among humans and may only represent a specialized subset of individuals, thereby lacking the ability to quantitatively disclose the universality of human preferences. To address this challenge, this paper proposes a novel approach, which employs a Bayesian framework to account for the distribution of disagreements among human preferences as training a preference model, and names it as $\textbf{d-PM}$. Besides, considering the RL strategy's inefficient and complex training process over the training efficiency, we further propose utilizing the contrastive learning strategy to train the NLG model with the preference scores derived from the d-PM model. Extensive experiments on two human-centric NLG tasks, i.e., emotional support conversation and integrity ``Rule-of-Thumb'' generation, show that our method consistently exceeds previous SOTA models in both automatic and human evaluations.

The impressive generalization performance of modern neural networks is attributed in part to their ability to implicitly memorize complex training patterns. Inspired by this, we explore a novel mechanism to improve model generalization via explicit memorization. Specifically, we propose the residual-memorization (ResMem) algorithm, a new method that augments an existing prediction model (e.g., a neural network) by fitting the model's residuals with a nearest-neighbor based regressor. The final prediction is then the sum of the original model and the fitted residual regressor. By construction, ResMem can explicitly memorize the training labels. We start by formulating a stylized linear regression problem and rigorously show that ResMem results in a more favorable test risk over a base linear neural network. Then, we empirically show that ResMem consistently improves the test set generalization of the original prediction model across standard vision and natural language processing benchmarks.

Recently, studies on machine learning have focused on methods that use symmetry implicit in a specific manifold as an inductive bias. Grassmann manifolds provide the ability to handle fundamental shapes represented as shape spaces, enabling stable shape analysis. In this paper, we present a novel approach in which we establish the theoretical foundations for learning distributions on the Grassmann manifold via continuous normalization flows, with the explicit goal of generating stable shapes. Our approach facilitates more robust generation by effectively eliminating the influence of extraneous transformations, such as rotations and inversions, through learning and generating within a Grassmann manifold designed to accommodate the essential shape information of the object. The experimental results indicated that the proposed method could generate high-quality samples by capturing the data structure. Furthermore, the proposed method significantly outperformed state-of-the-art methods in terms of the log-likelihood or evidence lower bound. The results obtained are expected to stimulate further research in this field, leading to advances for stable shape generation and analysis.

Patients with co-morbidities often require multiple medications to manage their conditions. However, existing medication recommendation systems only offer class-level medications and regard all interactions among drugs to have the same level of severity. This limits their ability to provide personalized and safe recommendations tailored to individual needs. In this work, we introduce a deep learning-based fine-grained medication recommendation system called REFINE, which is designed to improve treatment outcomes and minimize adverse drug interactions. In order to better characterize patients’ health conditions, we model the trend in medication dosage titrations and lab test responses, and adapt the vision transformer to obtain effective patient representations. We also model drug interaction severity levels as weighted graphs to learn safe drug combinations and design a balanced loss function to avoid overly conservative recommendations and miss medications that might be needed for certain conditions. Extensive experiments on two real-world datasets show that REFINE outperforms state-of-the-art techniques.

Pre-trained language models (PLMs) have demonstrated remarkable performance as few-shot learners. However, their security risks under such settings are largely unexplored. In this work, we conduct a pilot study showing that PLMs as few-shot learners are highly vulnerable to backdoor attacks while existing defenses are inadequate due to the unique challenges of few-shot scenarios. To address such challenges, we advocate MDP, a novel lightweight, pluggable, and effective defense for PLMs as few-shot learners. Specifically, MDP leverages the gap between the masking-sensitivity of poisoned and clean samples: with reference to the limited few-shot data as distributional anchors, it compares the representations of given samples under varying masking and identifies poisoned samples as ones with significant variations. We show analytically that MDP creates an interesting dilemma for the attacker to choose between attack effectiveness and detection evasiveness. The empirical evaluation using benchmark datasets and representative attacks validates the efficacy of MDP. The code of MDP is publicly available.

Conversational generative AI has demonstrated remarkable promise for empowering biomedical practitioners, but current investigations focus on unimodal text. Multimodal conversational AI has seen rapid progress by leveraging billions of image-text pairs from the public web, but such general-domain vision-language models still lack sophistication in understanding and conversing about biomedical images. In this paper, we propose a cost-efficient approach for training a vision-language conversational assistant that can answer open-ended research questions of biomedical images. The key idea is to leverage a large-scale, broad-coverage biomedical figure-caption dataset extracted from PubMed Central, use GPT-4 to self-instruct open-ended instruction-following data from the captions, and then fine-tune a large general-domain vision-language model using a novel curriculum learning method. Specifically, the model first learns to align biomedical vocabulary using the figure-caption pairs as is, then learns to master open-ended conversational semantics using GPT-4 generated instruction-following data, broadly mimicking how a layperson gradually acquires biomedical knowledge. This enables us to train a Large Language and Vision Assistant for BioMedicine (LLaVA-Med) in less than 15 hours (with eight A100s). LLaVA-Med exhibits excellent multimodal conversational capability and can follow open-ended instruction to assist with inquiries about a biomedical image. On three standard biomedical visual question answering datasets, LLaVA-Med outperforms previous supervised state-of-the-art on certain metrics. To facilitate biomedical multimodal research, we will release our instruction-following data and the LLaVA-Med model.

The theory of Koopman operators allows to deploy non-parametric machine learning algorithms to predict and analyze complex dynamical systems. Estimators such as principal component regression (PCR) or reduced rank regression (RRR) in kernel spaces can be shown to provably learn Koopman operators from finite empirical observations of the system's time evolution. Scaling these approaches to very long trajectories is a challenge and requires introducing suitable approximations to make computations feasible. In this paper, we boost the efficiency of different kernel-based Koopman operator estimators using random projections (sketching). We derive, implement and test the new ``sketched'' estimators with extensive experiments on synthetic and large-scale molecular dynamics datasets. Further, we establish non asymptotic error bounds giving a sharp characterization of the trade-offs between statistical learning rates and computational efficiency. Our empirical and theoretical analysis shows that the proposed estimators provide a sound and efficient way to learn large scale dynamical systems. In particular our experiments indicate that the proposed estimators retain the same accuracy of PCR or RRR, while being much faster.

Machine learning models exhibit strong performance on datasets with abundant labeled samples. However, for tabular datasets with extremely high $d$-dimensional features but limited $n$ samples (i.e. $d \gg n$), machine learning models struggle to achieve strong performance due to the risk of overfitting. Here, our key insight is that there is often abundant, auxiliary domain information describing input features which can be structured as a heterogeneous knowledge graph (KG). We propose PLATO, a method that achieves strong performance on tabular data with $d \gg n$ by using an auxiliary KG describing input features to regularize a multilayer perceptron (MLP). In PLATO, each input feature corresponds to a node in the auxiliary KG. In the MLP’s first layer, each input feature also corresponds to a weight vector. PLATO is based on the inductive bias that two input features corresponding to similar nodes in the auxiliary KG should have similar weight vectors in the MLP's first layer. PLATO captures this inductive bias by inferring the weight vector for each input feature from its corresponding node in the KG via a trainable message-passing function. Across 6 $d \gg n$ datasets, PLATO outperforms 13 state-of-the-art baselines by up to 10.19%.

This paper proposes a method for hiding the least-important samples during the training of deep neural networks to increase efficiency, i.e., to reduce the cost of training. Using information about the loss and prediction confidence during training, we adaptively find samples to exclude in a given epoch based on their contribution to the overall learning process, without significantly degrading accuracy. We explore the converge properties when accounting for the reduction in the number of SGD updates. Empirical results on various large-scale datasets and models used directly in image classification and segmentation show that while the with-replacement importance sampling algorithm performs poorly on large datasets, our method can reduce total training time by up to 22\% impacting accuracy only by 0.4\% compared to the baseline.

We present an exact Bayesian inference method for discrete statistical models, which can find exact solutions to a large class of discrete inference problems, even with infinite support and continuous priors. To express such models, we introduce a probabilistic programming language that supports discrete and continuous sampling, discrete observations, affine functions, (stochastic) branching, and conditioning on discrete events. Our key tool is *probability generating functions*: they provide a compact closed-form representation of distributions that are definable by programs, thus enabling the exact computation of posterior probabilities, expectation, variance, and higher moments. Our inference method is provably correct and fully automated in a tool called *Genfer*, which uses automatic differentiation (specifically, Taylor polynomials), but does not require computer algebra. Our experiments show that Genfer is often faster than the existing exact inference tools PSI, Dice, and Prodigy. On a range of real-world inference problems that none of these exact tools can solve, Genfer's performance is competitive with approximate Monte Carlo methods, while avoiding approximation errors.

Transformer large language models (LLMs) have sparked admiration for their exceptional performance on tasks that demand intricate multi-step reasoning. Yet, these models simultaneously show failures on surprisingly trivial problems. This begs the question: Are these errors incidental, or do they signal more substantial limitations? In an attempt to demystify transformer LLMs, we investigate the limits of these models across three representative compositional tasks---multi-digit multiplication, logic grid puzzles, and a classic dynamic programming problem. These tasks require breaking problems down into sub-steps and synthesizing these steps into a precise answer. We formulate compositional tasks as computation graphs to systematically quantify the level of complexity, and break down reasoning steps into intermediate sub-procedures. Our empirical findings suggest that transformer LLMs solve compositional tasks by reducing multi-step compositional reasoning into linearized subgraph matching, without necessarily developing systematic problem-solving skills. To round off our empirical study, we provide theoretical arguments on abstract multi-step reasoning problems that highlight how autoregressive generations' performance can rapidly decay with increased task complexity.

Recent works have demonstrated that the sample complexity of gradient-based learning of single index models, i.e. functions that depend on a 1-dimensional projection of the input data, is governed by their information exponent. However, these results are only concerned with isotropic data, while in practice the input often contains additional structure which can implicitly guide the algorithm. In this work, we investigate the effect of a spiked covariance structure and reveal several interesting phenomena. First, we show that in the anisotropic setting, the commonly used spherical gradient dynamics may fail to recover the true direction, even when the spike is perfectly aligned with the target direction. Next, we show that appropriate weight normalization that is reminiscent of batch normalization can alleviate this issue. Further, by exploiting the alignment between the (spiked) input covariance and the target, we obtain improved sample complexity compared to the isotropic case. In particular, under the spiked model with a suitably large spike, the sample complexity of gradient-based training can be made independent of the information exponent while also outperforming lower bounds for rotationally invariant kernel methods.

In this work, we propose a new class of learnable optimizers, called Mnemosyne. It is based on the novel spatio-temporal low-rank implicit attention Transformers that can learn to train entire neural network architectures, including other Transformers, without any task-specific optimizer tuning. We show that Mnemosyne: (a) outperforms popular LSTM optimizers (also with new feature engineering to mitigate catastrophic forgetting of LSTMs), (b) can successfully train Transformers while using simple meta-training strategies that require minimal computational resources, (c) matches accuracy-wise SOTA hand-designed optimizers with carefully tuned hyper-parameters (often producing top performing models). Furthermore, Mnemosyne provides space complexity comparable to that of its hand-designed first-order counterparts, which allows it to scale to training larger sets of parameters. We conduct an extensive empirical evaluation of Mnemosyne on: (a) fine-tuning a wide range of Vision Transformers (ViTs) from medium-size architectures to massive ViT-Hs (36 layers, 16 heads), (b) pre-training BERT models and (c) soft prompt-tuning large 11B+ T5XXL models. We complement our results with a comprehensive theoretical analysis of the compact associative memory used by Mnemosyne which we believe was never done before.

Generative Language Models (GLMs) have shown impressive performance in tasks such as text generation, understanding, and reasoning. However, the large model size poses challenges for practical deployment. To solve this problem, Quantization-Aware Training (QAT) has become increasingly popular. However, current QAT methods for generative models have resulted in a noticeable loss of accuracy. To counteract this issue, we propose a novel knowledge distillation method specifically designed for GLMs. Our method, called token-scaled logit distillation, prevents overfitting and provides superior learning from the teacher model and ground truth. This research marks the first evaluation of ternary weight quantization-aware training of large-scale GLMs with less than 1.0 degradation in perplexity and achieves enhanced accuracy in tasks like common-sense QA and arithmetic reasoning as well as natural language understanding. Our code is available at https://github.com/aiha-lab/TSLD.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement and is competitive with other techniques. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds, including $SU(n)$ lattices in the context of lattice quantum chromodynamics (QCD). Finally, we apply our models to contrastively learned hyperspherical embeddings, curbing the representation collapse problem in the projection head and closing the gap between theory and practice.

Language models learn a great quantity of factual information during pretraining, and recent work localizes this information to specific model weights like mid-layer MLP weights. In this paper, we find that we can change how a fact is stored in a model by editing weights that are in a different location than where existing methods suggest that the fact is stored. This is surprising because we would expect that localizing facts to specific model parameters would tell us where to manipulate knowledge in models, and this assumption has motivated past work on model editing methods. Specifically, we show that localization conclusions from representation denoising (also known as Causal Tracing) do not provide any insight into which model MLP layer would be best to edit in order to override an existing stored fact with a new one. This finding raises questions about how past work relies on Causal Tracing to select which model layers to edit. Next, we consider several variants of the editing problem, including erasing and amplifying facts. For one of our editing problems, editing performance does relate to localization results from representation denoising, but we find that which layer we edit is a far better predictor of performance. Our results suggest, counterintuitively, that better mechanistic understanding of how pretrained language models work may not always translate to insights about how to best change their behavior.

Test-time adaptation (TTA) is a special and practical setting in unsupervised domain adaptation, which allows a pre-trained model in a source domain to adapt to unlabeled test data in another target domain. To avoid the computation-intensive backbone fine-tuning process, the zero-shot generalization potentials of the emerging pre-trained vision-language models (e.g., CLIP, CoOp) are leveraged to only tune the run-time prompt for unseen test domains. However, existing solutions have yet to fully exploit the representation capabilities of pre-trained models as they only focus on the entropy-based optimization and the performance is far below the supervised prompt adaptation methods, e.g., CoOp. In this paper, we propose SwapPrompt, a novel framework that can effectively leverage the self-supervised contrastive learning to facilitate the test-time prompt adaptation. SwapPrompt employs a dual prompts paradigm, i.e., an online prompt and a target prompt that averaged from the online prompt to retain historical information. In addition, SwapPrompt applies a swapped prediction mechanism, which takes advantage of the representation capabilities of pre-trained models to enhance the online prompt via contrastive learning. Specifically, we use the online prompt together with an augmented view of the input image to predict the class assignment generated by the target prompt together with an alternative augmented view of the same image. The proposed SwapPrompt can be easily deployed on vision-language models without additional requirement, and experimental results show that it achieves state-of-the-art test-time adaptation performance on ImageNet and nine other datasets. It is also shown that SwapPrompt can even achieve comparable performance with supervised prompt adaptation methods.

Training reliable deep learning models which avoid making overconfident but incorrect predictions is a longstanding challenge. This challenge is further exacerbated when learning has to be differentially private: protection provided to sensitive data comes at the price of injecting additional randomness into the learning process. In this work, we conduct a thorough empirical investigation of selective classifiers---that can abstain under uncertainty---under a differential privacy constraint. We find that some popular selective prediction approaches are ineffective in a differentially private setting because they increase the risk of privacy leakage. At the same time, we identify that a recent approach that only uses checkpoints produced by an off-the-shelf private learning algorithm stands out as particularly suitable under DP. Further, we show that differential privacy does not just harm utility but also degrades selective classification performance. To analyze this effect across privacy levels, we propose a novel evaluation mechanism which isolates selective prediction performance across model utility levels at full coverage. Our experimental results show that recovering the performance level attainable by non-private models is possible but comes at a considerable coverage cost as the privacy budget decreases.

Reinforcement Learning from Human Feedback (RLHF) facilitates the alignment of large language models with human preferences, significantly enhancing the quality of interactions between humans and models. InstructGPT implements RLHF through several stages, including Supervised Fine-Tuning (SFT), reward model training, and Proximal Policy Optimization (PPO). However, PPO is sensitive to hyperparameters and requires multiple models in its standard implementation, making it hard to train and scale up to larger parameter counts. In contrast, we propose a novel learning paradigm called RRHF, which scores sampled responses from different sources via a logarithm of conditional probabilities and learns to align these probabilities with human preferences through ranking loss. RRHF can leverage sampled responses from various sources including the model responses from itself, other large language model responses, and human expert responses to learn to rank them. RRHF only needs 1 to 2 models during tuning and can efficiently align language models with human preferences robustly without complex hyperparameter tuning. Additionally, RRHF can be considered an extension of SFT and reward model training while being simpler than PPO in terms of coding, model counts, and hyperparameters. We evaluate RRHF on the Helpful and Harmless dataset, demonstrating comparable alignment performance with PPO by reward model score and human labeling. Extensive experiments show that the performance of RRHF is highly related to sampling quality which suggests RRHF is a best-of-$n$ learner.