mtybilly/Instruct2DS huggingface dataset:
ExPT: Synthetic Pretraining for Few-Shot Experimental Design
Authors: Sudhanshu Agrawal, Aditya Grover Tung Nguyen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Experimental design is a fundamental problem in many science and engineering fields. In this problem, sample efficiency is crucial due to the time, money, and safety costs of real-world design evaluations. Existing approaches either rely on active data collection or access to large, labeled datasets of past experiments, making them impractical in many real-world scenarios. In this work, we address the more challenging yet realistic setting of few-shot experimental design, where only a few labeled data points of input designs and their corresponding values are available. We approach this problem as a conditional generation task, where a model conditions on a few labeled examples and the desired output to generate an optimal input design. To this end, we introduce Experiment Pretrained Transformers (ExPT), a foundation model for few-shot experimental design that employs a novel combination of synthetic pretraining with in-context learning. In ExPT, we only assume knowledge of a finite collection of unlabelled data points from the input domain and pretrain a transformer neural network to optimize diverse synthetic functions defined over this domain. Unsupervised pretraining allows ExPT to adapt to any design task at test time in an in-context fashion by conditioning on a few labeled data points from the target task and generating the candidate optima. We evaluate ExPT on few-shot experimental design in challenging domains and demonstrate its superior generality and performance compared to existing methods. The source code is available at https://github.com/tung-nd/ExPT.git.
ToolkenGPT: Augmenting Frozen Language Models with Massive Tools via Tool Embeddings
Authors: Tianyang Liu, Zhen Wang, Zhiting Hu Shibo Hao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Integrating large language models (LLMs) with various tools has led to increased attention in the field. Existing approaches either involve fine-tuning the LLM, which is both computationally costly and limited to a fixed set of tools, or prompting LLMs by in-context tool demonstrations. Although the latter method offers adaptability to new tools, it struggles with the inherent context length constraint of LLMs when many new tools are presented, and mastering a new set of tools with few-shot examples remains challenging, resulting in suboptimal performance. To address these limitations, we propose a novel solution, named ToolkenGPT, wherein LLMs effectively learn to master tools as predicting tokens through tool embeddings for solving complex tasks. In this framework, each tool is transformed into vector embeddings and plugged into the language model head. Once the function is triggered during text generation, the LLM enters a special function mode to execute the tool calls. Our experiments show that function embeddings effectively help LLMs understand tool use and improve on several tasks, including numerical reasoning, knowledge-based question answering and embodied decision-making.
CLIP4HOI: Towards Adapting CLIP for Practical Zero-Shot HOI Detection
Authors: Jiajun Deng, Wengang Zhou, Li Li, Yao Fang, Houqiang Li Yunyao Mao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Zero-shot Human-Object Interaction (HOI) detection aims to identify both seen and unseen HOI categories. A strong zero-shot HOI detector is supposed to be not only capable of discriminating novel interactions but also robust to positional distribution discrepancy between seen and unseen categories when locating human-object pairs. However, top-performing zero-shot HOI detectors rely on seen and predefined unseen categories to distill knowledge from CLIP and jointly locate human-object pairs without considering the potential positional distribution discrepancy, leading to impaired transferability. In this paper, we introduce CLIP4HOI, a novel framework for zero-shot HOI detection. CLIP4HOI is developed on the vision-language model CLIP and ameliorates the above issues in the following two aspects. First, to avoid the model from overfitting to the joint positional distribution of seen human-object pairs, we seek to tackle the problem of zero-shot HOI detection in a disentangled two-stage paradigm. To be specific, humans and objects are independently identified and all feasible human-object pairs are processed by Human-Object interactor for pairwise proposal generation. Second, to facilitate better transferability, the CLIP model is elaborately adapted into a fine-grained HOI classifier for proposal discrimination, avoiding data-sensitive knowledge distillation. Finally, experiments on prevalent benchmarks show that our CLIP4HOI outperforms previous approaches on both rare and unseen categories, and sets a series of state-of-the-art records under a variety of zero-shot settings.
Transformer-based Planning for Symbolic Regression
Authors: Kazem Meidani, Amir Barati Farimani, Chandan Reddy Parshin Shojaee
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Symbolic regression (SR) is a challenging task in machine learning that involves finding a mathematical expression for a function based on its values. Recent advancements in SR have demonstrated the effectiveness of pre-trained transformer models in generating equations as sequences, leveraging large-scale pre-training on synthetic datasets and offering notable advantages in terms of inference time over classical Genetic Programming (GP) methods. However, these models primarily rely on supervised pre-training objectives borrowed from text generation and overlook equation discovery goals like accuracy and complexity. To address this, we propose TPSR, a Transformer-based Planning strategy for Symbolic Regression that incorporates Monte Carlo Tree Search planning algorithm into the transformer decoding process. Unlike conventional decoding strategies, TPSR enables the integration of non-differentiable equation verification feedback, such as fitting accuracy and complexity, as external sources of knowledge into the transformer equation generation process. Extensive experiments on various datasets show that our approach outperforms state-of-the-art methods, enhancing the model's fitting-complexity trade-off, extrapolation abilities, and robustness to noise.
Exploring Geometry of Blind Spots in Vision models
Authors: Gaurang Sriramanan, Vinu Sankar Sadasivan, Soheil Feizi Sriram Balasubramanian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Despite the remarkable success of deep neural networks in a myriad of settings, several works have demonstrated their overwhelming sensitivity to near-imperceptible perturbations, known as adversarial attacks. On the other hand, prior works have also observed that deep networks can be under-sensitive, wherein large-magnitude perturbations in input space do not induce appreciable changes to network activations. In this work, we study in detail the phenomenon of under-sensitivity in vision models such as CNNs and Transformers, and present techniques to study the geometry and extent of “equi-confidence” level sets of such networks. We propose a Level Set Traversal algorithm that iteratively explores regions of high confidence with respect to the input space using orthogonal components of the local gradients. Given a source image, we use this algorithm to identify inputs that lie in the same equi-confidence level set as the source image despite being perceptually similar to arbitrary images from other classes. We further observe that the source image is linearly connected by a high-confidence path to these inputs, uncovering a star-like structure for level sets of deep networks. Furthermore, we attempt to identify and estimate the extent of these connected higher-dimensional regions over which the model maintains a high degree of confidence.
Provable benefits of annealing for estimating normalizing constants: Importance Sampling, Noise-Contrastive Estimation, and beyond
Authors: Aapo Hyvarinen, Andrej Risteski Omar Chehab
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent research has developed several Monte Carlo methods for estimating the normalization constant (partition function) based on the idea of annealing. This means sampling successively from a path of distributions which interpolate between a tractable "proposal" distribution and the unnormalized "target" distribution. Prominent estimators in this family include annealed importance sampling and annealed noise-contrastive estimation (NCE). Such methods hinge on a number of design choices: which estimator to use, which path of distributions to use and whether to use a path at all; so far, there is no definitive theory on which choices are efficient. Here, we evaluate each design choice by the asymptotic estimation error it produces. First, we show that using NCE is more efficient than the importance sampling estimator, but in the limit of infinitesimal path steps, the difference vanishes. Second, we find that using the geometric path brings down the estimation error from an exponential to a polynomial function of the parameter distance between the target and proposal distributions. Third, we find that the arithmetic path, while rarely used, can offer optimality properties over the universally-used geometric path. In fact, in a particular limit, the optimal path is arithmetic. Based on this theory, we finally propose a two-step estimator to approximate the optimal path in an efficient way.
Strategic Distribution Shift of Interacting Agents via Coupled Gradient Flows
Authors: Franca Hoffmann, Eric Mazumdar, Lillian Ratliff Lauren Conger
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We propose a novel framework for analyzing the dynamics of distribution shift in real-world systems that captures the feedback loop between learning algorithms and the distributions on which they are deployed. Prior work largely models feedback-induced distribution shift as adversarial or via an overly simplistic distribution-shift structure. In contrast, we propose a coupled partial differential equation model that captures fine-grained changes in the distribution over time by accounting for complex dynamics that arise due to strategic responses to algorithmic decision-making, non-local endogenous population interactions, and other exogenous sources of distribution shift. We consider two common settings in machine learning: cooperative settings with information asymmetries, and competitive settings where a learner faces strategic users. For both of these settings, when the algorithm retrains via gradient descent, we prove asymptotic convergence of the retraining procedure to a steady-state, both in finite and in infinite dimensions, obtaining explicit rates in terms of the model parameters. To do so we derive new results on the convergence of coupled PDEs that extends what is known on multi-species systems. Empirically, we show that our approach captures well-documented forms of distribution shifts like polarization and disparate impacts that simpler models cannot capture.
Learning Time-Invariant Representations for Individual Neurons from Population Dynamics
Authors: Trung Le, Tianxing He, Eli Shlizerman, Uygar Sümbül Lu Mi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neurons can display highly variable dynamics. While such variability presumably supports the wide range of behaviors generated by the organism, their gene expressions are relatively stable in the adult brain. This suggests that neuronal activity is a combination of its time-invariant identity and the inputs the neuron receives from the rest of the circuit. Here, we propose a self-supervised learning based method to assign time-invariant representations to individual neurons based on permutation-, and population size-invariant summary of population recordings. We fit dynamical models to neuronal activity to learn a representation by considering the activity of both the individual and the neighboring population. Our self-supervised approach and use of implicit representations enable robust inference against imperfections such as partial overlap of neurons across sessions, trial-to-trial variability, and limited availability of molecular (transcriptomic) labels for downstream supervised tasks. We demonstrate our method on a public multimodal dataset of mouse cortical neuronal activity and transcriptomic labels. We report >35\% improvement in predicting the transcriptomic subclass identity and >20\% improvement in predicting class identity with respect to the state-of-the-art.
GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising
Authors: Jeheon Woo, SEONGHWAN KIM, Seokhyun Moon, Jun Hyeong Kim, Woo Youn Kim Hyeonsu Kim
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As quantum chemical properties have a dependence on their geometries, graph neural networks (GNNs) using 3D geometric information have achieved high prediction accuracy in many tasks. However, they often require 3D geometries obtained from high-level quantum mechanical calculations, which are practically infeasible, limiting their applicability to real-world problems. To tackle this, we propose a new training framework, GeoTMI, that employs denoising process to predict properties accurately using easy-to-obtain geometries (corrupted versions of correct geometries, such as those obtained from low-level calculations). Our starting point was the idea that the correct geometry is the best description of the target property. Hence, to incorporate information of the correct, GeoTMI aims to maximize mutual information between three variables: the correct and the corrupted geometries and the property. GeoTMI also explicitly updates the corrupted input to approach the correct geometry as it passes through the GNN layers, contributing to more effective denoising. We investigated the performance of the proposed method using 3D GNNs for three prediction tasks: molecular properties, a chemical reaction property, and relaxed energy in a heterogeneous catalytic system. Our results showed consistent improvements in accuracy across various tasks, demonstrating the effectiveness and robustness of GeoTMI.
PRED: Pre-training via Semantic Rendering on LiDAR Point Clouds
Authors: Haiyang Wang, Di Dai, Liwei Wang Hao Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Pre-training is crucial in 3D-related fields such as autonomous driving where point cloud annotation is costly and challenging. Many recent studies on point cloud pre-training, however, have overlooked the issue of incompleteness, where only a fraction of the points are captured by LiDAR, leading to ambiguity during the training phase. On the other hand, images offer more comprehensive information and richer semantics that can bolster point cloud encoders in addressing the incompleteness issue inherent in point clouds. Yet, incorporating images into point cloud pre-training presents its own challenges due to occlusions, potentially causing misalignments between points and pixels. In this work, we propose PRED, a novel image-assisted pre-training framework for outdoor point clouds in an occlusion-aware manner. The main ingredient of our framework is a Birds-Eye-View (BEV) feature map conditioned semantic rendering, leveraging the semantics of images for supervision through neural rendering. We further enhance our model's performance by incorporating point-wise masking with a high mask ratio (95%). Extensive experiments demonstrate PRED's superiority over prior point cloud pre-training methods, providing significant improvements on various large-scale datasets for 3D perception tasks. Codes will be available at https://github.com/PRED4pc/PRED.
Active Observing in Continuous-time Control
Authors: Alihan Hüyük, Mihaela van der Schaar Samuel Holt
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The control of continuous-time environments while actively deciding when to take costly observations in time is a crucial yet unexplored problem, particularly relevant to real-world scenarios such as medicine, low-power systems, and resource management. Existing approaches either rely on continuous-time control methods that take regular, expensive observations in time or discrete-time control with costly observation methods, which are inapplicable to continuous-time settings due to the compounding discretization errors introduced by time discretization. In this work, we are the first to formalize the continuous-time control problem with costly observations. Our key theoretical contribution shows that observing at regular time intervals is not optimal in certain environments, while irregular observation policies yield higher expected utility.  This perspective paves the way for the development of novel methods that can take irregular observations in continuous-time control with costly observations. We empirically validate our theoretical findings in various continuous-time environments, including a cancer simulation, by constructing a simple initial method to solve this new problem, with a heuristic threshold on the variance of reward rollouts in an offline continuous-time model-based model predictive control (MPC) planner. Although determining the optimal method remains an open problem, our work offers valuable insights and understanding of this unique problem, laying the foundation for future research in this area.
Principled Weight Initialisation for Input-Convex Neural Networks
Authors: Günter Klambauer Pieter-Jan Hoedt
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Input-Convex Neural Networks (ICNNs) are networks that guarantee convexity in their input-output mapping. These networks have been successfully applied for energy-based modelling, optimal transport problems and learning invariances.The convexity of ICNNs is achieved by using non-decreasing convex activation functions and non-negative weights. Because of these peculiarities, previous initialisation strategies, which implicitly assume centred weights, are not effective for ICNNs. By studying signal propagation through layers with non-negative weights, we are able to derive a principled weight initialisation for ICNNs. Concretely, we generalise signal propagation theory by removing the assumption that weights are sampled from a centred distribution. In a set of experiments, we demonstrate that our principled initialisation effectively accelerates learning in ICNNs and leads to better generalisation. Moreover, we find that, in contrast to common belief, ICNNs can be trained without skip-connections when initialised correctly. Finally, we apply ICNNs to a real-world drug discovery task and show that they allow for more effective molecular latent space exploration.
Automatic Grouping for Efficient Cooperative Multi-Agent Reinforcement Learning
Authors: Jinmin He, Kai Li, Haobo Fu, Qiang Fu, Junliang Xing, Jian Cheng Yifan Zang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Grouping is ubiquitous in natural systems and is essential for promoting efficiency in team coordination. This paper proposes a novel formulation of Group-oriented Multi-Agent Reinforcement Learning (GoMARL), which learns automatic grouping without domain knowledge for efficient cooperation. In contrast to existing approaches that attempt to directly learn the complex relationship between the joint action-values and individual utilities, we empower subgroups as a bridge to model the connection between small sets of agents and encourage cooperation among them, thereby improving the learning efficiency of the whole team. In particular, we factorize the joint action-values as a combination of group-wise values, which guide agents to improve their policies in a fine-grained fashion. We present an automatic grouping mechanism to generate dynamic groups and group action-values. We further introduce a hierarchical control for policy learning that drives the agents in the same group to specialize in similar policies and possess diverse strategies for various groups. Experiments on the StarCraft II micromanagement tasks and Google Research Football scenarios verify our method's effectiveness. Extensive component studies show how grouping works and enhances performance.
On the Minimax Regret for Online Learning with Feedback Graphs
Authors: Emmanuel Esposito, Tom Cesari, Nicolò Cesa-Bianchi Khaled Eldowa
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this work, we improve on the upper and lower bounds for the regret of online learning with strongly observable undirected feedback graphs. The best known upper bound for this problem is $\mathcal{O}\bigl(\sqrt{\alpha T\ln K}\bigr)$, where $K$ is the number of actions, $\alpha$ is the independence number of the graph, and $T$ is the time horizon. The $\sqrt{\ln K}$ factor is known to be necessary when $\alpha = 1$ (the experts case). On the other hand, when $\alpha = K$ (the bandits case), the minimax rate is known to be $\Theta\bigl(\sqrt{KT}\bigr)$, and a lower bound $\Omega\bigl(\sqrt{\alpha T}\bigr)$ is known to hold for any $\alpha$. Our improved upper bound $\mathcal{O}\bigl(\sqrt{\alpha T(1+\ln(K/\alpha))}\bigr)$ holds for any $\alpha$ and matches the lower bounds for bandits and experts, while interpolating intermediate cases. To prove this result, we use FTRL with $q$-Tsallis entropy for a carefully chosen value of $q \in [1/2, 1)$ that varies with $\alpha$. The analysis of this algorithm requires a new bound on the variance term in the regret. We also show how to extend our techniques to time-varying graphs, without requiring prior knowledge of their independence numbers. Our upper bound is complemented by an improved $\Omega\bigl(\sqrt{\alpha T(\ln K)/(\ln\alpha)}\bigr)$ lower bound for all $\alpha > 1$, whose analysis relies on a novel reduction to multitask learning. This shows that a logarithmic factor is necessary as soon as $\alpha < K$.
DropPos: Pre-Training Vision Transformers by Reconstructing Dropped Positions
Authors: Junsong Fan, Yuxi Wang, Kaiyou Song, Tong Wang, ZHAO-XIANG ZHANG Haochen Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As it is empirically observed that Vision Transformers (ViTs) are quite insensitive to the order of input tokens, the need for an appropriate self-supervised pretext task that enhances the location awareness of ViTs is becoming evident. To address this, we present DropPos, a novel pretext task designed to reconstruct Dropped Positions. The formulation of DropPos is simple: we first drop a large random subset of positional embeddings and then the model classifies the actual position for each non-overlapping patch among all possible positions solely based on their visual appearance. To avoid trivial solutions, we increase the difficulty of this task by keeping only a subset of patches visible. Additionally, considering there may be different patches with similar visual appearances, we propose position smoothing and attentive reconstruction strategies to relax this classification problem, since it is not necessary to reconstruct their exact positions in these cases. Empirical evaluations of DropPos show strong capabilities. DropPos outperforms supervised pre-training and achieves competitive results compared with state-of-the-art self-supervised alternatives on a wide range of downstream benchmarks. This suggests that explicitly encouraging spatial reasoning abilities, as DropPos does, indeed contributes to the improved location awareness of ViTs. The code is publicly available at https://github.com/Haochen-Wang409/DropPos.
Hierarchical VAEs provide a normative account of motion processing in the primate brain
Authors: Jacob Yates, Daniel Butts Hadi Vafaii
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The relationship between perception and inference, as postulated by Helmholtz in the 19th century, is paralleled in modern machine learning by generative models like Variational Autoencoders (VAEs) and their hierarchical variants. Here, we evaluate the role of hierarchical inference and its alignment with brain function in the domain of motion perception. We first introduce a novel synthetic data framework, Retinal Optic Flow Learning (ROFL), which enables control over motion statistics and their causes. We then present a new hierarchical VAE and test it against alternative models on two downstream tasks: (i) predicting ground truth causes of retinal optic flow (e.g., self-motion); and (ii) predicting the responses of neurons in the motion processing pathway of primates. We manipulate the model architectures (hierarchical versus non-hierarchical), loss functions, and the causal structure of the motion stimuli. We find that hierarchical latent structure in the model leads to several improvements. First, it improves the linear decodability of ground truth variables and does so in a sparse and disentangled manner. Second, our hierarchical VAE outperforms previous state-of-the-art models in predicting neuronal responses and exhibits sparse latent-to-neuron relationships. These results depend on the causal structure of the world, indicating that alignment between brains and artificial neural networks depends not only on architecture but also on matching ecologically relevant stimulus statistics. Taken together, our results suggest that hierarchical Bayesian inference underlines the brain's understanding of the world, and hierarchical VAEs can effectively model this understanding.
Variational Gaussian Processes with Decoupled Conditionals
Authors: Kaiwen Wu, Natalie Maus, Jacob Gardner, David Bindel Xinran Zhu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Variational Gaussian processes (GPs) approximate exact GP inference by using a small set of inducing points to form a sparse approximation of the true posterior, with the fidelity of the model increasing with additional inducing points. Although the approximation error in principle can be reduced through the use of more inducing points, this leads to scaling optimization challenges and computational complexity. To achieve scalability, inducing point methods typically introduce conditional independencies and then approximations to the training and test conditional distributions. In this paper, we consider an alternative approach to modifying the training and test conditionals, in which we make them more flexible. In particular, we investigate decoupling the parametric form of the predictive mean and covariance in the conditionals, and learn independent parameters for predictive mean and covariance. We derive new evidence lower bounds (ELBO) under these more flexible conditionals, and provide two concrete examples of applying the decoupled conditionals. Empirically, we find this additional flexibility leads to improved model performance on a variety of regression tasks and Bayesian optimization (BO) applications.
EgoSchema: A Diagnostic Benchmark for Very Long-form Video Language Understanding
Authors: Raiymbek Akshulakov, Jitendra Malik Karttikeya Mangalam
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: We introduce EgoSchema, a very long-form video question-answering dataset, and benchmark to evaluate long video understanding capabilities of modern vision and language systems. Derived from Ego4D, EgoSchema consists of over 5000 human curated multiple choice question answer pairs, spanning over 250 hours of real video data, covering a very broad range of natural human activity and behavior. For each question, EgoSchema requires the correct answer to be selected between five given options based on a three-minute-long video clip. While some prior works have proposed video datasets with long clip lengths, we posit that merely the length of the video clip does not truly capture the temporal difficulty of the video task that is being considered. To remedy this, we introduce temporal certificate sets, a general notion for capturing the intrinsic temporal understanding length associated with a broad range of video understanding tasks & datasets. Based on this metric, we find EgoSchema to have intrinsic temporal lengths over 5.7x longer than the second closest dataset and 10x to 100x longer than any other video understanding dataset. Further, our evaluation of several current state-of-the-art video and language models shows them to be severely lacking in long-term video understanding capabilities. Even models with several billions of parameters achieve QA accuracy less than 33% (random is 20%) on the EgoSchema multi-choice question answering task, while humans achieve about 76% accuracy. We posit that EgoSchema, with its long intrinsic temporal structures and diverse complexity, would serve as a valuable evaluation probe for developing effective long-term video understanding systems in the future. Data and Zero-shot model evaluation code will all be open-sourced under the Ego4D license at http://egoschema.github.io.
TabMT: Generating tabular data with masked transformers
Authors: Paul Roysdon Manbir Gulati
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Autoregressive and Masked Transformers are incredibly effective as generative models and classifiers.    While these models are most prevalent in NLP, they also exhibit strong performance in other domains, such as vision.     This work contributes to the exploration of transformer-based models in synthetic data generation for diverse application domains.     In this paper, we present TabMT, a novel Masked Transformer design for generating synthetic tabular data.     TabMT effectively addresses the unique challenges posed by heterogeneous data fields and is natively able to handle missing data.     Our design leverages improved masking techniques to allow for generation and demonstrates state-of-the-art performance from extremely small to extremely large tabular datasets.     We evaluate TabMT for privacy-focused applications and find that it is able to generate high quality data with superior privacy tradeoffs.
Brain Dissection: fMRI-trained Networks Reveal Spatial Selectivity in the Processing of Natural Images
Authors: Michael Tarr, Katerina Fragkiadaki, Leila Wehbe Gabriel Sarch
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The alignment between deep neural network (DNN) features and cortical responses currently provides the most accurate quantitative explanation for higher visual areas. At the same time, these model features have been critiqued as uninterpretable explanations, trading one black box (the human brain) for another (a neural network). In this paper, we train networks to directly predict, from scratch, brain responses to images from a large-scale dataset of natural scenes (Allen et. al., 2021). We then use "network dissection" (Bau et. al., 2017), an explainable AI technique used for enhancing neural network interpretability by identifying and localizing the most significant features in images for individual units of a trained network, and which has been used to study category selectivity in the human brain (Khosla & Wehbe, 2022). We adapt this approach to create a hypothesis-neutral model that is then used to explore the tuning properties of specific visual regions beyond category selectivity, which we call "brain dissection". We use brain dissection to examine a range of ecologically important, intermediate properties, including depth, surface normals, curvature, and object relations across sub-regions of the parietal, lateral, and ventral visual streams, and scene-selective regions. Our findings reveal distinct preferences in brain regions for interpreting visual scenes, with ventro-lateral areas favoring closer and curvier features, medial and parietal areas opting for more varied and flatter 3D elements, and the parietal region uniquely preferring spatial relations. Scene-selective regions exhibit varied preferences, as the retrosplenial complex prefers distant and outdoor features, while the occipital and parahippocampal place areas favor proximity, verticality, and in the case of the OPA, indoor elements. Such findings show the potential of using explainable AI to uncover spatial feature selectivity across the visual cortex, contributing to a deeper, more fine-grained understanding of the functional characteristics of human visual cortex when viewing natural scenes.
Action Inference by Maximising Evidence: Zero-Shot Imitation from Observation with World Models
Authors: Philip Becker-Ehmck, Patrick van der Smagt, Maximilian Karl Xingyuan Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Unlike most reinforcement learning agents which require an unrealistic amount of environment interactions to learn a new behaviour, humans excel at learning quickly by merely observing and imitating others. This ability highly depends on the fact that humans have a model of their own embodiment that allows them to infer the most likely actions that led to the observed behaviour. In this paper, we propose Action Inference by Maximising Evidence (AIME) to replicate this behaviour using world models. AIME consists of two distinct phases. In the first phase, the agent learns a world model from its past experience to understand its own body by maximising the ELBO. While in the second phase, the agent is given some observation-only demonstrations of an expert performing a novel task and tries to imitate the expert's behaviour. AIME achieves this by defining a policy as an inference model and maximising the evidence of the demonstration under the policy and world model. Our method is "zero-shot" in the sense that it does not require further training for the world model or online interactions with the environment after given the demonstration. We empirically validate the zero-shot imitation performance of our method on the Walker and Cheetah embodiment of the DeepMind Control Suite and find it outperforms the state-of-the-art baselines. Code is available at: https://github.com/argmax-ai/aime.
ProtoDiff: Learning to Learn Prototypical Networks by Task-Guided Diffusion
Authors: Zehao Xiao, Shengcai Liao, Cees Snoek Yingjun Du
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Prototype-based meta-learning has emerged as a powerful technique for addressing few-shot learning challenges. However, estimating a deterministic prototype using a simple average function from a limited number of examples remains a fragile process. To overcome this limitation, we introduce ProtoDiff, a novel framework that leverages a task-guided diffusion model during the meta-training phase to gradually generate prototypes, thereby providing efficient class representations. Specifically,  a set of prototypes is optimized to achieve per-task prototype overfitting, enabling accurately obtaining the overfitted prototypes for individual tasks.Furthermore, we introduce a task-guided diffusion process within the prototype space, enabling the meta-learning of a generative process that transitions from a vanilla prototype to an overfitted prototype. ProtoDiff gradually generates task-specific prototypes from random noise during the meta-test stage, conditioned on the limited samples available for the new task. Furthermore, to expedite training and enhance ProtoDiff's performance, we propose the utilization of residual prototype learning, which leverages the sparsity of the residual prototype. We conduct thorough ablation studies to demonstrate its ability to accurately capture the underlying prototype distribution and enhance generalization. The new state-of-the-art performance on within-domain, cross-domain, and few-task few-shot classiﬁcation further substantiates the beneﬁt of ProtoDiff.
Synthetic Experience Replay
Authors: Philip Ball, Yee Whye Teh, Jack Parker-Holder Cong Lu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A key theme in the past decade has been that when large neural networks and large datasets combine they can produce remarkable results. In deep reinforcement learning (RL), this paradigm is commonly made possible through experience replay, whereby a dataset of past experiences is used to train a policy or value function. However, unlike in supervised or self-supervised learning, an RL agent has to collect its own data, which is often limited. Thus, it is challenging to reap the benefits of deep learning, and even small neural networks can overfit at the start of training. In this work, we leverage the tremendous recent progress in generative modeling and propose Synthetic Experience Replay (SynthER), a diffusion-based approach to flexibly upsample an agent's collected experience. We show that SynthER is an effective method for training RL agents across offline and online settings, in both proprioceptive and pixel-based environments. In offline settings, we observe drastic improvements when upsampling small offline datasets and see that additional synthetic data also allows us to effectively train larger networks. Furthermore, SynthER enables online agents to train with a much higher update-to-data ratio than before, leading to a significant increase in sample efficiency, without any algorithmic changes. We believe that synthetic training data could open the door to realizing the full potential of deep learning for replay-based RL algorithms from limited data. Finally, we open-source our code at https://github.com/conglu1997/SynthER.
Learning to Tokenize for Generative Retrieval
Authors: Lingyong Yan, Zheng Chen, Shuaiqiang Wang, Haichao Zhu, Pengjie Ren, Zhumin Chen, Dawei Yin, Maarten Rijke, Zhaochun Ren Weiwei Sun
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As a new paradigm in information retrieval, generative retrieval directly generates a ranked list of document identifiers (docids) for a given query using generative language models (LMs).How to assign each document a unique docid (denoted as document tokenization) is a critical problem, because it determines whether the generative retrieval model can precisely retrieve any document by simply decoding its docid.Most existing methods adopt rule-based tokenization, which is ad-hoc and does not generalize well.In contrast, in this paper we propose a novel document tokenization learning method, GenRet, which learns to encode the complete document semantics into docids.GenRet learns to tokenize documents into short discrete representations (i.e., docids) via a discrete auto-encoding approach.We develop a progressive training scheme to capture the autoregressive nature of docids and diverse clustering techniques to stabilize the training process.Based on the semantic-embedded docids of any set of documents, the generative retrieval model can learn to generate the most relevant docid only according to the docids' semantic relevance to the queries.We conduct experiments on the NQ320K, MS MARCO, and BEIR datasets.GenRet establishes the new state-of-the-art on the NQ320K dataset.Compared to generative retrieval baselines, GenRet can achieve significant improvements on unseen documents.Moreover, GenRet can also outperform comparable baselines on MS MARCO and BEIR, demonstrating the method's generalizability.
A Reduction-based Framework for Sequential Decision Making with Delayed Feedback
Authors: Han Zhong, Tianhao Wu, Bin Liu, Liwei Wang, Simon S Du Yunchang Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study stochastic delayed feedback in general single-agent and multi-agent sequential decision making, which includes bandits, single-agent Markov decision processes (MDPs), and Markov games (MGs). We propose a novel reduction-based framework, which turns any multi-batched algorithm for sequential decision making with instantaneous feedback into a sample-efficient algorithm that can handle stochastic delays in sequential decision making. By plugging different multi-batched algorithms into our framework, we provide several examples demonstrating that our framework not only matches or improves existing results for bandits, tabular MDPs, and tabular MGs, but also provides the first line of studies on delays in sequential decision making with function approximation. In summary, we provide a complete set of sharp results for single-agent and multi-agent sequential decision making with delayed feedback.
Efficient RL with Impaired Observability: Learning to Act with Delayed and Missing State Observations
Authors: Yu Bai, H. Vincent Poor, Mengdi Wang Minshuo Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In real-world reinforcement learning (RL) systems, various forms of {\it impaired observability} can complicate matters. These situations arise when an agent is unable to observe the most recent state of the system due to latency or lossy channels, yet the agent must still make real-time decisions. This paper introduces a theoretical investigation into efficient RL in control systems where agents must act with delayed and missing state observations. We establish near-optimal regret bounds, of the form $\tilde{\mathcal{O}}(\sqrt{{\rm poly}(H) SAK})$, for RL in both the delayed and missing observation settings. Despite impaired observability posing significant challenges to the policy class and planning, our results demonstrate that learning remains efficient, with the regret bound optimally depending on the state-action size of the original system. Additionally, we provide a characterization of the performance of the optimal policy under impaired observability, comparing it to the optimal value obtained with full observability.
Unified 3D Segmenter As Prototypical Classifiers
Authors: Cheng Han, Qifan Wang, Xiushan Nie, Yilong Yin, Lu Xiankai Zheyun Qin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The task of point cloud segmentation, comprising semantic, instance, and panoptic segmentation, has been mainly tackled by designing task-specific network architectures, which often lack the flexibility to generalize across tasks, thus resulting in a fragmented research landscape. In this paper, we introduce ProtoSEG, a prototype-based model that unifies semantic, instance, and panoptic segmentation tasks. Our approach treats these three homogeneous tasks as a classification problem with different levels of granularity. By leveraging a Transformer architecture, we extract point embeddings to optimize prototype-class distances and dynamically learn class prototypes to accommodate the end tasks. Our prototypical design enjoys simplicity and transparency, powerful representational learning, and ad-hoc explainability. Empirical results demonstrate that ProtoSEG outperforms concurrent well-known specialized architectures on 3D point cloud benchmarks, achieving 72.3%, 76.4% and 74.2% mIoU for semantic segmentation on S3DIS, ScanNet V2 and SemanticKITTI, 66.8% mCov and 51.2% mAP for instance segmentation on S3DIS and ScanNet V2, 62.4% PQ for panoptic segmentation on SemanticKITTI, validating the strength of our concept and the effectiveness of our algorithm.  The code and models are available at https://github.com/zyqin19/PROTOSEG.
Cola: A Benchmark for Compositional Text-to-image Retrieval
Authors: Filip Radenovic, Abhimanyu Dubey, Bryan Plummer, Ranjay Krishna, Kate Saenko Arijit Ray
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Compositional reasoning is a hallmark of human visual intelligence. Yet, despite the size of large vision-language models, they struggle to represent simple compositions by combining objects with their attributes. To measure this lack of compositional capability, we design Cola, a text-to-image retrieval benchmark to Compose Objects Localized with Attributes. To solve Cola, a model must retrieve images with the correct configuration of attributes and objects and avoid choosing a distractor image with the same objects and attributes but in the wrong configuration. Cola contains about 1.2k composed queries of 168 objects and 197 attributes on around 30K images. Our human evaluation finds that Cola is 83.33% accurate, similar to contemporary compositionality benchmarks. Using Cola as a testbed, we explore empirical modeling designs to adapt pre-trained vision-language models to reason compositionally. We explore 6 adaptation strategies on 2 seminal vision-language models, using compositionality-centric test benchmarks - Cola and CREPE. We find the optimal adaptation strategy is to train a multi-modal attention layer that jointly attends over the frozen pre-trained image and language features. Surprisingly, training multimodal layers on CLIP performs better than tuning a larger FLAVA model with already pre-trained multimodal layers. Furthermore, our adaptation strategy improves CLIP and FLAVA to comparable levels, suggesting that training multimodal layers using contrastive attribute-object data is key, as opposed to using them pre-trained. Lastly, we show that Cola is harder than a closely related contemporary benchmark, CREPE, since simpler fine-tuning strategies without multimodal layers suffice on CREPE, but not on Cola. However, we still see a significant gap between our best adaptation and human accuracy, suggesting considerable room for further research. Project page: https://cs-people.bu.edu/array/research/cola/
Estimating Causal Effects Identifiable from a Combination of Observations and Experiments
Authors: Ivan Diaz, Jin Tian, Elias Bareinboim Yonghan Jung
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Learning cause and effect relations is arguably one of the central challenges found throughout the data sciences.Formally, determining whether a collection of observational and interventional distributions can be combined to learn a target causal relation is known as the problem of generalized identification (or g-identification) [Lee et al., 2019]. Although g-identification has been well understood and solved in theory, it turns out to be challenging to apply these results in practice, in particular when considering the estimation of the target distribution from finite samples. In this paper, we develop a new, general estimator that exhibits multiply robustness properties for g-identifiable causal functionals. Specifically, we show that any g-identifiable causal effect can be expressed as a function of generalized multi-outcome sequential back-door adjustments that are amenable to estimation. We then construct a corresponding estimator for the g-identification expression that exhibits robustness properties to bias. We analyze the asymptotic convergence properties of the estimator. Finally, we illustrate the use of the proposed estimator in experimental studies. Simulation results corroborate the theory.