NeurIPS 2023 论文列表

Interpreting the decisions of deep learning models has been actively studied since the explosion of deep neural networks. One of the most convincing interpretation approaches is salience-based visual interpretation, such as Grad-CAM, where the generation of attention maps depends merely on categorical labels. Although existing interpretation methods can provide explainable decision clues, they often yield partial correspondence between image and saliency maps due to the limited discriminative information from one-hot labels. This paper develops a Language-Image COnsistency model for explainable image classification, termed LICO, by correlating learnable linguistic prompts with corresponding visual features in a coarse-to-fine manner. Specifically, we first establish a coarse global manifold structure alignment by minimizing the distance between the distributions of image and language features. We then achieve fine-grained saliency maps by applying optimal transport (OT) theory to assign local feature maps with class-specific prompts. Extensive experimental results on eight benchmark datasets demonstrate that the proposed LICO achieves a significant improvement in generating more explainable attention maps in conjunction with existing interpretation methods such as Grad-CAM. Remarkably, LICO improves the classification performance of existing models without introducing any computational overhead during inference.

In a wide range of multimodal tasks, contrastive learning has become a particularly appealing approach since it can successfully learn representations from abundant unlabeled data with only pairing information (e.g., image-caption or video-audio pairs). Underpinning these approaches is the assumption of multi-view redundancy - that shared information between modalities is necessary and sufficient for downstream tasks. However, in many real-world settings, task-relevant information is also contained in modality-unique regions: information that is only present in one modality but still relevant to the task. How can we learn self-supervised multimodal representations to capture both shared and unique information relevant to downstream tasks? This paper proposes FactorCL, a new multimodal representation learning method to go beyond multi-view redundancy. FactorCL is built from three new contributions: (1) factorizing task-relevant information into shared and unique representations, (2) capturing task-relevant information via maximizing MI lower bounds and removing task-irrelevant information via minimizing MI upper bounds, and (3) multimodal data augmentations to approximate task relevance without labels. On large-scale real-world datasets, FactorCL captures both shared and unique information and achieves state-of-the-art results on six benchmarks.

Procedural Content Generation (PCG) is a technique to generate complex and diverse environments in an automated way. However, while generating content with PCG methods is often straightforward, generating meaningful content that reflects specific intentions and constraints remains challenging. Furthermore, many PCG algorithms lack the ability to generate content in an open-ended manner. Recently, Large Language Models (LLMs) have shown to be incredibly effective in many diverse domains. These trained LLMs can be fine-tuned, re-using information and accelerating training for new tasks. Here, we introduce MarioGPT, a fine-tuned GPT2 model trained to generate tile-based game levels, in our case Super Mario Bros levels. MarioGPT can not only generate diverse levels, but can be text-prompted for controllable level generation, addressing one of the key challenges of current PCG techniques. As far as we know, MarioGPT is the first text-to-level model and combined with novelty search it enables the generation of diverse levels with varying play-style dynamics (i.e. player paths) and the open-ended discovery of an increasingly diverse range of content. Code available at https://github.com/shyamsn97/mario-gpt.

Large language models have shown astonishing performance on a wide range of reasoning tasks. In this paper, we investigate whether they could reason about real-world events and help improve the prediction performance of event sequence models. We design LAMP, a framework that integrates a large language model in event prediction. Particularly, the language model performs abductive reasoning to assist an event sequence model: the event model proposes predictions on future events given the past; instructed by a few expert-annotated demonstrations, the language model learns to suggest possible causes for each proposal; a search module finds out the previous events that match the causes; a scoring function learns to examine whether the retrieved events could actually cause the proposal. Through extensive experiments on several challenging real-world datasets, we demonstrate that our framework---thanks to the reasoning capabilities of large language models---could significantly outperform the state-of-the-art event sequence models.

Convolutional Neural Networks (CNNs) are the predominant model used for a variety of medical image analysis tasks. At inference time, these models are computationally intensive, especially with volumetric data.In principle, it is possible to trade accuracy for computational efficiency by manipulating the rescaling factor in the downsample and upsample layers of CNN architectures.However, properly exploring the accuracy-efficiency trade-off is prohibitively expensive with existing models.To address this, we introduce Scale-Space HyperNetworks (SSHN), a method that learns a spectrum of CNNs with varying internal rescaling factors.A single SSHN characterizes an entire Pareto accuracy-efficiency curve of models that match, and occasionally surpass, the outcomes of training many separate networks with fixed rescaling factors.We demonstrate the proposed approach in several medical image analysis applications, comparing SSHN against strategies with both fixed and dynamic rescaling factors.We find that SSHN consistently provides a better accuracy-efficiency trade-off at a fraction of the training cost. Trained SSHNs enable the user to quickly choose a rescaling factor that appropriately balances accuracy and computational efficiency for their particular needs at inference.

We introduce Inference-Time Intervention (ITI), a technique designed to enhance the "truthfulness" of large language models (LLMs). ITI operates by shifting model activations during inference, following a learned set of directions across a limited number of attention heads. This intervention significantly improves the performance of LLaMA models on the TruthfulQA benchmark. On an instruction-finetuned LLaMA called Alpaca, ITI improves its truthfulness from $32.5\%$ to $65.1\%$. We identify a tradeoff between truthfulness and helpfulness and demonstrate how to balance it by tuning the intervention strength. ITI is minimally invasive and computationally inexpensive. Moreover, the technique is data efficient: while approaches like RLHF require extensive annotations, ITI locates truthful directions using only few hundred examples. Our findings suggest that LLMs may have an internal representation of the likelihood of something being true, even as they produce falsehoods on the surface.

We propose the Multimodal Clinical Benchmark for Emergency Care (MC-BEC), a comprehensive benchmark for evaluating foundation models in Emergency Medicine using a dataset of 100K+ continuously monitored Emergency Department visits from 2020-2022. MC-BEC focuses on clinically relevant prediction tasks at timescales from minutes to days, including predicting patient decompensation, disposition, and emergency department (ED) revisit, and includes a standardized evaluation framework with train-test splits and evaluation metrics. The multimodal dataset includes a wide range of detailed clinical data, including triage information, prior diagnoses and medications, continuously measured vital signs, electrocardiogram and photoplethysmograph waveforms, orders placed and medications administered throughout the visit, free-text reports of imaging studies, and information on ED diagnosis, disposition, and subsequent revisits. We provide performance baselines for each prediction task to enable the evaluation of multimodal, multitask models. We believe that MC-BEC will encourage researchers to develop more effective, generalizable, and accessible foundation models for multimodal clinical data.

The structure of protein-protein complexes is critical for understanding binding dynamics, biological mechanisms, and intervention strategies. Rigid protein docking, a fundamental problem in this field, aims to predict the 3D structure of complexes from their unbound states without conformational changes. In this scenario, we have access to two types of valuable information: sequence-modal information, such as coevolutionary data obtained from multiple sequence alignments, and structure-modal information, including the 3D conformations of rigid structures. However, existing docking methods typically utilize single-modal information, resulting in suboptimal predictions. In this paper, we propose xTrimoBiDock (or BiDock for short), a novel rigid docking model that effectively integrates sequence- and structure-modal information through bi-level optimization. Specifically, a cross-modal transformer combines multimodal information to predict an inter-protein distance map. To achieve rigid docking, the roto-translation transformation is optimized to align the docked pose with the predicted distance map. In order to tackle this bi-level optimization problem, we unroll the gradient descent of the inner loop and further derive a better initialization for roto-translation transformation based on spectral estimation. Compared to baselines, BiDock achieves a promising result of a maximum 234% relative improvement in challenging antibody-antigen docking problem.

Foundation models are trained on increasingly immense and opaque datasets. Even while these models are now key in AI system building, it can be difficult to answer the straightforward question: has the model already encountered a given example during training? We therefore propose a widespread adoption of Data Portraits: artifacts that record training data and allow for downstream inspection. First we outline the properties of such an artifact and discuss how existing solutions can be used to increase transparency. We then propose and implement a solution based on data sketching, stressing fast and space efficient querying. Using our tools, we document a popular language modeling corpus (The Pile) and a recently released code modeling dataset (The Stack). We show that our solution enables answering questions about test set leakage and model plagiarism. Our tool is lightweight and fast, costing only 3% of the dataset size in overhead. We release a live interface of our tools at https://dataportraits.org/ and call on dataset and model creators to release Data Portraits as a complement to current documentation practices.

Irregularly sampled time series are increasingly prevalent, particularly in medical domains. While various specialized methods have been developed to handle these irregularities, effectively modeling their complex dynamics and pronounced sparsity remains a challenge. This paper introduces a novel perspective by converting irregularly sampled time series into line graph images, then utilizing powerful pre-trained vision transformers for time series classification in the same way as image classification. This method not only largely simplifies specialized algorithm designs but also presents the potential to serve as a universal framework for time series modeling. Remarkably, despite its simplicity, our approach outperforms state-of-the-art specialized algorithms on several popular healthcare and human activity datasets. Especially in the rigorous leave-sensors-out setting where a portion of variables is omitted during testing, our method exhibits strong robustness against varying degrees of missing observations, achieving an impressive improvement of 42.8% in absolute F1 score points over leading specialized baselines even with half the variables masked. Code and data are available at https://github.com/Leezekun/ViTST.

Segmenting untrimmed videos into chapters enables users to quickly navigate to the information of their interest. This important topic has been understudied due to the lack of publicly released datasets. To address this issue, we present VidChapters-7M, a dataset of 817K user-chaptered videos including 7M chapters in total. VidChapters-7M is automatically created from videos online in a scalable manner by scraping user-annotated chapters and hence without any additional manual annotation. We introduce the following three tasks based on this data. First, the video chapter generation task consists of temporally segmenting the video and generating a chapter title for each segment. To further dissect the problem, we also define two variants of this task: video chapter generation given ground-truth boundaries, which requires generating a chapter title given an annotated video segment, and video chapter grounding, which requires temporally localizing a chapter given its annotated title. We benchmark both simple baselines as well as state-of-the-art video-language models on these three tasks. We also show that pretraining on VidChapters-7M transfers well to dense video captioning tasks, largely improving the state of the art on the YouCook2 and ViTT benchmarks. Finally, our experiments reveal that downstream performance scales well with the size of the pretraining dataset.

Large Language Models (LLMs) are progressively being utilized as machine learning services and interface tools for various applications. However, the security implications of LLMs, particularly in relation to adversarial and Trojan attacks, remain insufficiently examined. In this paper, we propose TrojLLM, an automatic and black-box framework to effectively generate universal and stealthy triggers. When these triggers are incorporated into the input data, the LLMs' outputs can be maliciously manipulated. Moreover, the framework also supports embedding Trojans within discrete prompts, enhancing the overall effectiveness and precision of the triggers' attacks. Specifically, we propose a trigger discovery algorithm for generating universal triggers for various inputs by querying victim LLM-based APIs using few-shot data samples. Furthermore, we introduce a novel progressive Trojan poisoning algorithm designed to generate poisoned prompts that retain efficacy and transferability across a diverse range of models. Our experiments and results demonstrate TrojLLM's capacity to effectively insert Trojans into text prompts in real-world black-box LLM APIs including GPT-3.5 and GPT-4, while maintaining exceptional performance on clean test sets. Our work sheds light on the potential security risks in current models and offers a potential defensive approach. The source code of TrojLLM is available at https://github.com/UCF-ML-Research/TrojLLM.

Large language models (LLMs) exhibit in-context learning abilities which enable the same model to perform several tasks without any task-specific training. In contrast, traditional adaptation approaches, such as fine-tuning, modify the underlying models for each specific task. In-context learning, however, consistently underperforms task-specific tuning approaches even when presented with the same examples. While most existing approaches (e.g., prompt engineering) focus on the LLM's learned representations to patch this performance gap, our experiments actually reveal that LLM representations contain sufficient information to make good predictions. As such, we focus on the LLM's reasoning abilities and demonstrate that this performance gap exists due to their inability to perform simple probabilistic reasoning tasks. This raises an intriguing question: Are LLMs actually capable of learning how to reason in a task-agnostic manner? We answer this in the affirmative and, as a proof of concept, propose TART which generically improves an LLM's reasoning abilities using a synthetically trained reasoning module. TART trains this Transformer-based reasoning module in a task-agnostic manner using only synthetic logistic regression tasks and composes it with an arbitrary real-world pre-trained model without any additional training. With a single inference module, TART improves performance across different model families (GPT-Neo, Pythia, Bloom), model sizes (100M - 6B), tasks (14 NLP classification tasks), and even across different modalities (audio and vision). On the RAFT Benchmark, TART improves GPT-Neo (125M)'s performance such that it outperforms Bloom (176B), and is within $4$% of GPT-3.

We develop a general framework for finding approximately-optimal preconditioners for solving linear systems. Leveraging this framework we obtain improved runtimes for fundamental preconditioning and linear system solving problems including: Diagonal preconditioning. We give an algorithm which, given positive definite $\mathbf{K} \in \mathbb{R}^{d \times d}$ with $\mathrm{nnz}(\mathbf{K})$ nonzero entries, computes an $\epsilon$-optimal diagonal preconditioner in time $\widetilde{O}(\mathrm{nnz}(\mathbf{K}) \cdot \mathrm{poly}(\kappa^\star,\epsilon^{-1}))$, where $\kappa^\star$ is the optimal condition number of the rescaled matrix. Structured linear systems. We give an algorithm which, given $\mathbf{M} \in \mathbb{R}^{d \times d}$ that is either the pseudoinverse of a graph Laplacian matrix or a constant spectral approximation of one, solves linear systems in $\mathbf{M}$ in $\widetilde{O}(d^2)$ time. Our diagonal preconditioning results improve state-of-the-art runtimes of $\Omega(d^{3.5})$ attained by general-purpose semidefinite programming, and our solvers improve state-of-the-art runtimes of $\Omega(d^{\omega})$ where $\omega > 2.3$ is the current matrix multiplication constant. We attain our results via new algorithms for a class of semidefinite programs (SDPs) we call matrix-dictionary approximation SDPs, which we leverage to solve an associated problem we call matrix-dictionary recovery.

We present a rich, multimodal dataset consisting of data from 40 teams of three humans conducting simulated urban search-and-rescue (SAR) missions in a Minecraft-based testbed, collected for the Theory of Mind-based Cognitive Architecture for Teams (ToMCAT) project. Modalities include two kinds of brain scan data---functional near-infrared spectroscopy (fNIRS) and electroencephalography (EEG), as well as skin conductance, heart rate, eye tracking, face images, spoken dialog audio data with automatic speech recognition (ASR) transcriptions, game screenshots, gameplay data, game performance data, demographic data, and self-report questionnaires. Each team undergoes up to six consecutive phases: three behavioral tasks, one mission training session, and two collaborative SAR missions. As time-synchronized multimodal data collected under a variety of circumstances, this dataset will support studying a large variety of research questions on topics including teamwork, coordination, plan recognition, affective computing, physiological linkage, entrainment, and dialog understanding. We provide an initial public release of the de-identified data, along with analyses illustrating the utility of this dataset to both computer scientists and social scientists.

In an effort to catalog insect biodiversity, we propose a new large dataset of hand-labelled insect images, the BIOSCAN-1M Insect Dataset. Each record is taxonomically classified by an expert, and also has associated genetic information including raw nucleotide barcode sequences and assigned barcode index numbers, which are genetic-based proxies for species classification. This paper presents a curated million-image dataset, primarily to train computer-vision models capable of providing image-based taxonomic assessment, however, the dataset also presents compelling characteristics, the study of which would be of interest to the broader machine learning community. Driven by the biological nature inherent to the dataset, a characteristic long-tailed class-imbalance distribution is exhibited. Furthermore, taxonomic labelling is a hierarchical classification scheme, presenting a highly fine-grained classification problem at lower levels. Beyond spurring interest in biodiversity research within the machine learning community, progress on creating an image-based taxonomic classifier will also further the ultimate goal of all BIOSCAN research: to lay the foundation for a comprehensive survey of global biodiversity. This paper introduces the dataset and explores the classification task through the implementation and analysis of a baseline classifier. The code repository of the BIOSCAN-1M-Insect dataset is available at https://github.com/zahrag/BIOSCAN-1M

Explanation methods for machine learning models tend not to provide any formal guarantees and may not reflect the underlying decision-making process. In this work, we analyze stability as a property for reliable feature attribution methods. We prove that relaxed variants of stability are guaranteed if the model is sufficiently Lipschitz with respect to the masking of features. We develop a smoothing method called Multiplicative Smoothing (MuS) to achieve such a model. We show that MuS overcomes the theoretical limitations of standard smoothing techniques and can be integrated with any classifier and feature attribution method. We evaluate MuS on vision and language models with various feature attribution methods, such as LIME and SHAP, and demonstrate that MuS endows feature attributions with non-trivial stability guarantees.

Segmentation of curvilinear structures such as vasculature and road networks is challenging due to relatively weak signals and complex geometry/topology. To facilitate and accelerate large scale annotation, one has to adopt semi-automatic approaches such as proofreading by experts. In this work, we focus on uncertainty estimation for such tasks, so that highly uncertain, and thus error-prone structures can be identified for human annotators to verify. Unlike most existing works, which provide pixel-wise uncertainty maps, we stipulate it is crucial to estimate uncertainty in the units of topological structures, e.g., small pieces of connections and branches. To achieve this, we leverage tools from topological data analysis, specifically discrete Morse theory (DMT), to first capture the structures, and then reason about their uncertainties. To model the uncertainty, we (1) propose a joint prediction model that estimates the uncertainty of a structure while taking the neighboring structures into consideration (inter-structural uncertainty); (2) propose a novel Probabilistic DMT to model the inherent uncertainty within each structure (intra-structural uncertainty) by sampling its representations via a perturb-and-walk scheme. On various 2D and 3D datasets, our method produces better structure-wise uncertainty maps compared to existing works. Code available at: https://github.com/Saumya-Gupta-26/struct-uncertainty

In this paper, we propose a novel text promptable surgical instrument segmentation approach to overcome challenges associated with diversity and differentiation of surgical instruments in minimally invasive surgeries. We redefine the task as text promptable, thereby enabling a more nuanced comprehension of surgical instruments and adaptability to new instrument types. Inspired by recent advancements in vision-language models, we leverage pretrained image and text encoders as our model backbone and design a text promptable mask decoder consisting of attention- and convolution-based prompting schemes for surgical instrument segmentation prediction. Our model leverages multiple text prompts for each surgical instrument through a new mixture of prompts mechanism, resulting in enhanced segmentation performance. Additionally, we introduce a hard instrument area reinforcement module to improve image feature comprehension and segmentation precision. Extensive experiments on several surgical instrument segmentation datasets demonstrate our model's superior performance and promising generalization capability. To our knowledge, this is the first implementation of a promptable approach to surgical instrument segmentation, offering significant potential for practical application in the field of robotic-assisted surgery. Code is available at https://github.com/franciszzj/TP-SIS.