mtybilly/Instruct2DS huggingface dataset:
Optimal Transport for Treatment Effect Estimation
Authors: Hao Wang, Jiajun Fan, Zhichao Chen, Haoxuan Li, Weiming Liu, Tianqiao Liu, Quanyu Dai, Yichao Wang, Zhenhua Dong, Ruiming Tang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Estimating individual treatment effects from observational data is challenging due to treatment selection bias. Prevalent methods mainly mitigate this issue by aligning different treatment groups in the latent space, the core of which is the calculation of distribution discrepancy. However, two issues that are often overlooked can render these methods invalid:(1) mini-batch sampling effects (MSE), where the calculated discrepancy is erroneous in non-ideal mini-batches with outcome imbalance and outliers;(2) unobserved confounder effects (UCE), where the unobserved confounders are not considered in the discrepancy calculation.Both of these issues invalidate the calculated discrepancy, mislead the training of estimators, and thus impede the handling of treatment selection bias.To tackle these issues, we propose Entire Space CounterFactual Regression (ESCFR), which is a new take on optimal transport technology in the context of causality.Specifically, based on the canonical optimal transport framework, we propose a relaxed mass-preserving regularizer to address the MSE issue and design a proximal factual outcome regularizer to handle the UCE issue.Extensive experiments demonstrate that ESCFR estimates distribution discrepancy accurately, handles the treatment selection bias effectively, and outperforms prevalent competitors significantly.
Initialization Matters: Privacy-Utility Analysis of Overparameterized Neural Networks
Authors: Jiayuan Ye, Zhenyu Zhu, Fanghui Liu, Reza Shokri, Volkan Cevher
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We analytically investigate how over-parameterization of models in randomized machine learning algorithms impacts the information leakage about their training data. Specifically, we prove a privacy bound for the KL divergence between model distributions on worst-case neighboring datasets, and explore its dependence on the initialization, width, and depth of fully connected neural networks. We find that this KL privacy bound is largely determined by the expected squared gradient norm relative to model parameters during training. Notably, for the special setting of linearized network, our analysis indicates that the squared gradient norm (and therefore the escalation of privacy loss) is tied directly to the per-layer variance of the initialization distribution. By using this analysis, we demonstrate that privacy bound improves with increasing depth under certain initializations (LeCun and Xavier), while degrades with increasing depth under other initializations (He and NTK). Our work reveals a complex interplay between privacy and depth that depends on the chosen initialization distribution. We further prove excess empirical risk bounds under a fixed KL privacy budget, and show that the interplay between privacy utility trade-off and depth is similarly affected by the initialization.
Cause-Effect Inference in Location-Scale Noise Models: Maximum Likelihood vs. Independence Testing
Authors: Xiangyu Sun, Oliver Schulte
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A fundamental problem of causal discovery is cause-effect inference, to learn the correct causal direction between two random variables. Significant progress has been made through modelling the effect as a function of its cause and a noise term, which allows us to leverage assumptions about the generating function class. The recently introduced heteroscedastic location-scale noise functional models (LSNMs) combine expressive power with identifiability guarantees. LSNM model selection based on maximizing likelihood achieves state-of-the-art accuracy, when the noise distributions are correctly specified. However, through an extensive empirical evaluation, we demonstrate that the accuracy deteriorates sharply when the form of the noise distribution is misspecified by the user. Our analysis shows that the failure occurs mainly when the conditional variance in the anti-causal direction is smaller than that in the causal direction. As an alternative, we find that causal model selection through residual independence testing is much more robust to noise misspecification and misleading conditional variance.
M3Exam: A Multilingual, Multimodal, Multilevel Benchmark for Examining Large Language Models
Authors: Wenxuan Zhang, Mahani Aljunied, Chang Gao, Yew Ken Chia, Lidong Bing
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Despite the existence of various benchmarks for evaluating natural language processing models, we argue that human exams are a more suitable means of evaluating general intelligence for large language models (LLMs), as they inherently demand a much wider range of abilities such as language understanding, domain knowledge, and problem-solving skills. To this end, we introduce M3Exam, a novel benchmark sourced from real and official human exam questions for evaluating LLMs in a multilingual, multimodal, and multilevel context. M3Exam exhibits three unique characteristics: (1) multilingualism, encompassing questions from multiple countries that require strong multilingual proficiency and cultural knowledge; (2) multimodality, accounting for the multimodal nature of many exam questions to test the model's multimodal understanding capability; and (3) multilevel structure, featuring exams from three critical educational periods to comprehensively assess a model's proficiency at different levels. In total, M3Exam contains 12,317 questions in 9 diverse languages with three educational levels, where about 23\% of the questions require processing images for successful solving. We assess the performance of top-performing LLMs on M3Exam and find that current models, including GPT-4, still struggle with multilingual text, particularly in low-resource and non-Latin script languages. Multimodal LLMs also perform poorly with complex multimodal questions. We believe that M3Exam can be a valuable resource for comprehensively evaluating LLMs by examining their multilingual and multimodal abilities and tracking their development. Data and evaluation code is available at \url{https://github.com/DAMO-NLP-SG/M3Exam}.
CROMA: Remote Sensing Representations with Contrastive Radar-Optical Masked Autoencoders
Authors: Anthony Fuller, Koreen Millard, James Green
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A vital and rapidly growing application, remote sensing offers vast yet sparsely labeled, spatially aligned multimodal data; this makes self-supervised learning algorithms invaluable. We present CROMA: a framework that combines contrastive and reconstruction self-supervised objectives to learn rich unimodal and multimodal representations. Our method separately encodes masked-out multispectral optical and synthetic aperture radar samples—aligned in space and time—and performs cross-modal contrastive learning. Another encoder fuses these sensors, producing joint multimodal encodings that are used to predict the masked patches via a lightweight decoder. We show that these objectives are complementary when leveraged on spatially aligned multimodal data. We also introduce X- and 2D-ALiBi, which spatially biases our cross- and self-attention matrices. These strategies improve representations and allow our models to effectively extrapolate to images up to $17.6\times$ larger at test-time. CROMA outperforms the current SoTA multispectral model, evaluated on: four classification benchmarks—finetuning (avg.$\uparrow$ 1.8%), linear (avg.$\uparrow$ 2.4%) and nonlinear (avg.$\uparrow$ 1.4%) probing, $k$NN classification (avg.$\uparrow$ 3.5%), and $K$-means clustering (avg.$\uparrow$ 8.4%); and three segmentation benchmarks (avg.$\uparrow$ 6.4%). CROMA’s rich, optionally multimodal representations can be widely leveraged across remote sensing applications.
OpenAGI: When LLM Meets Domain Experts
Authors: Yingqiang Ge, Wenyue Hua, Kai Mei, jianchao ji, Juntao Tan, Shuyuan Xu, Zelong Li, Yongfeng Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Human Intelligence (HI) excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive AI Agents, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools, plugins, or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research and development platform designed for solving multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools, plugins, or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's task-solving ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and the UI demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.
Neural Frailty Machine: Beyond proportional hazard assumption in neural survival regressions
Authors: Ruofan Wu, Jiawei Qiao, Mingzhe Wu, Wen Yu, Ming Zheng, Tengfei LIU, Tianyi Zhang, Weiqiang Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present neural frailty machine (NFM), a powerful and flexible neural modeling framework for survival regressions. The NFM framework utilizes the classical idea of multiplicative frailty in survival analysis as a principled way of extending the proportional hazard assumption, at the same time being able to leverage the strong approximation power of neural architectures for handling nonlinear covariate dependence. Two concrete models are derived under the framework that extends neural proportional hazard models and nonparametric hazard regression models. Both models allow efficient training under the likelihood objective. Theoretically, for both proposed models, we establish statistical guarantees of neural function approximation with respect to nonparametric components via characterizing their rate of convergence. Empirically, we provide synthetic experiments that verify our theoretical statements. We also conduct experimental evaluations over $6$ benchmark datasets of different scales, showing that the proposed NFM models achieve predictive performance comparable to or sometimes surpassing state-of-the-art survival models. Our code is publicly availabel at https://github.com/Rorschach1989/nfm
Non-autoregressive Machine Translation with Probabilistic Context-free Grammar
Authors: Shangtong Gui, Chenze Shao, Zhengrui Ma, xishan zhang, Yunji Chen, Yang Feng
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Non-autoregressive Transformer(NAT) significantly accelerates the inference of neural machine translation. However, conventional NAT models suffer from limited expression power and performance degradation compared to autoregressive (AT) models due to the assumption of conditional independence among target tokens. To address these limitations, we propose a novel approach called PCFG-NAT, which leverages a specially designed Probabilistic Context-Free Grammar (PCFG) to enhance the ability of NAT models to capture complex dependencies among output tokens. Experimental results on major machine translation benchmarks demonstrate that PCFG-NAT further narrows the gap in translation quality between NAT and AT models. Moreover, PCFG-NAT facilitates a deeper understanding of the generated sentences, addressing the lack of satisfactory explainability in neural machine translation. Code is publicly available at https://github.com/ictnlp/PCFG-NAT.
Constrained Policy Optimization with Explicit Behavior Density For Offline Reinforcement Learning
Authors: Jing Zhang, Chi Zhang, Wenjia Wang, Bingyi Jing
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Due to the inability to interact with the environment, offline reinforcement learning (RL) methods face the challenge of estimating the Out-of-Distribution (OOD) points. Existing methods for addressing this issue either control policy to exclude the OOD action or make the $Q$ function pessimistic. However, these methods can be overly conservative or fail to identify OOD areas accurately. To overcome this problem, we propose a Constrained Policy optimization with Explicit Behavior density (CPED) method that utilizes a flow-GAN model to explicitly estimate the density of behavior policy. By estimating the explicit density, CPED can accurately identify the safe region and enable exploration within the region, resulting in less conservative learning policies.  We further provide theoretical results for both the flow-GAN estimator and performance guarantee for CPED by showing that CPED can find the optimal $Q$-function value. Empirically, CPED outperforms existing alternatives on various standard offline reinforcement learning tasks, yielding higher expected returns.
Large Language Models are Fixated by Red Herrings: Exploring Creative Problem Solving and Einstellung Effect using the Only Connect Wall Dataset
Authors: Saeid Alavi Naeini, Raeid Saqur, Mozhgan Saeidi, John Giorgi, Babak Taati
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: The quest for human imitative AI has been an enduring topic in AI research since inception. The technical evolution and emerging capabilities of the latest cohort of large language models (LLMs) have reinvigorated the subject beyond academia to cultural zeitgeist. While recent NLP evaluation benchmark tasks test some aspects of human-imitative behaviour (e.g., BIG-bench's `human-like behavior' tasks), few, if not none, examine creative problem solving abilities. Creative problem solving in humans is a well-studied topic in cognitive neuroscience with standardized tests that predominantly use ability to associate (heterogeneous) connections among clue words as a metric for creativity. Exposure to misleading stimuli --- distractors dubbed red herrings --- impede human performance in such tasks via the fixation effect and Einstellung paradigm. In cognitive neuroscience studies, such fixations are experimentally induced by pre-exposing participants to orthographically similar incorrect words to subsequent word-fragments or clues. The popular British quiz show Only Connect's Connecting Wall segment essentially mimics Mednick's Remote Associates Test (RAT) formulation with built-in, deliberate red herrings, that makes it an ideal proxy dataset to explore and study fixation effect and Einstellung paradigm from cognitive neuroscience in LLMs. In addition to presenting the novel Only Connect Wall (OCW) dataset, we also report results from our evaluation of selected pre-trained language models and LLMs (including OpenAI's GPT series) on creative problem solving tasks like grouping clue words by heterogeneous connections, and identifying correct open knowledge domain connections in respective groups. We synthetically generate two additional datasets: OCW-Randomized, OCW-WordNet to further analyze our red-herrings hypothesis in language models.The code and link to the dataset is available at url.
Formalizing locality for normative synaptic plasticity models
Authors: Colin Bredenberg, Ezekiel Williams, Cristina Savin, Blake Richards, Guillaume Lajoie
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In recent years, many researchers have proposed new models for synaptic plasticity in the brain based on principles of machine learning. The central motivation has been the development of learning algorithms that are able to learn difficult tasks while qualifying as "biologically plausible". However, the concept of a biologically plausible learning algorithm is only heuristically defined as an algorithm that is potentially implementable by biological neural networks. Further, claims that neural circuits could implement any given algorithm typically rest on an amorphous concept of "locality" (both in space and time). As a result, it is unclear what many proposed local learning algorithms actually predict biologically, and which of these are consequently good candidates for experimental investigation. Here, we address this lack of clarity by proposing formal and operational definitions of locality. Specifically, we define different classes of locality, each of which makes clear what quantities cannot be included in a learning rule if an algorithm is to qualify as local with respect to a given (biological) constraint. We subsequently use this framework to distill testable predictions from various classes of biologically plausible synaptic plasticity models that are robust to arbitrary choices about neural network architecture. Therefore, our framework can be used to guide claims of biological plausibility and to identify potential means of experimentally falsifying a proposed learning algorithm for the brain.
Exact Verification of ReLU Neural Control Barrier Functions
Authors: Hongchao Zhang, Junlin Wu, Yevgeniy Vorobeychik, Andrew Clark
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Control Barrier Functions (CBFs) are a popular approach for safe control of nonlinear systems. In CBF-based control, the desired safety properties of the system are mapped to nonnegativity of a CBF, and the control input is chosen to ensure that the CBF remains nonnegative for all time. Recently, machine learning methods that represent CBFs as neural networks (neural control barrier functions, or NCBFs) have shown great promise due to the universal representability of neural networks. However, verifying that a learned CBF guarantees safety remains a challenging research problem. This paper presents novel exact conditions and algorithms for verifying safety of feedforward NCBFs with ReLU activation functions. The key challenge in doing so is that, due to the piecewise linearity of the ReLU function, the NCBF will be nondifferentiable at certain points, thus invalidating traditional safety verification methods that assume a smooth barrier function. We resolve this issue by leveraging a generalization of Nagumo's theorem for proving invariance of sets with nonsmooth boundaries to derive necessary and sufficient conditions for safety. Based on this condition, we propose an algorithm for safety verification of NCBFs that first decomposes the NCBF into piecewise linear segments and then solves a nonlinear program to verify safety of each segment as well as the intersections of the linear segments. We  mitigate the complexity by only considering the boundary of the safe region and by pruning  the segments with Interval Bound Propagation (IBP) and linear relaxation. We evaluate our approach through numerical studies with comparison to state-of-the-art SMT-based methods. Our code is available at https://github.com/HongchaoZhang-HZ/exactverif-reluncbf-nips23.
Normalization-Equivariant Neural Networks with Application to Image Denoising
Authors: Sébastien Herbreteau, Emmanuel Moebel, Charles Kervrann
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In many information processing systems, it may be desirable to ensure that any change of the input, whether by shifting or  scaling, results in a corresponding change in the system response.  While deep neural networks are gradually replacing all traditional automatic processing methods, they surprisingly do not guarantee such normalization-equivariance (scale + shift) property, which can be detrimental in many applications. To address this issue, we propose a methodology for adapting existing neural networks so that normalization-equivariance holds by design. Our main claim is that not only ordinary convolutional layers, but also all activation functions, including the ReLU (rectified linear unit), which are applied element-wise to the pre-activated neurons, should be completely removed from neural networks and replaced by better conditioned alternatives. To this end, we introduce affine-constrained convolutions and channel-wise sort pooling layers as surrogates and show that these two architectural modifications do preserve normalization-equivariance without loss of performance. Experimental results in image denoising show that normalization-equivariant neural networks, in addition to their better conditioning, also provide much better generalization across noise levels.
Budgeting Counterfactual for Offline RL
Authors: Yao Liu, Pratik Chaudhari, Rasool Fakoor
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The main challenge of offline reinforcement learning, where data is limited, arises from a sequence of counterfactual reasoning dilemmas within the realm of potential actions: What if we were to choose a different course of action? These circumstances frequently give rise to extrapolation errors, which tend to accumulate exponentially with the problem horizon. Hence, it becomes crucial to acknowledge that not all decision steps are equally important to the final outcome, and to budget the number of counterfactual decisions a policy make in order to control the extrapolation. Contrary to existing approaches that use regularization on either the policy or value function, we propose an approach to explicitly bound the amount of out-of-distribution actions during training. Specifically, our method utilizes dynamic programming to decide where to extrapolate and where not to, with an upper bound on the decisions different from behavior policy. It balances between the potential for improvement from taking out-of-distribution actions and the risk of making errors due to extrapolation. Theoretically, we justify our method by the constrained optimality of the fixed point solution to our $Q$ updating rules. Empirically, we show that the overall performance of our method is better than the state-of-the-art offline RL methods on tasks in the widely-used D4RL benchmarks.
Federated Conditional Stochastic Optimization
Authors: Xidong Wu, Jianhui Sun, Zhengmian Hu, Junyi Li, Aidong Zhang, Heng Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Conditional stochastic optimization has found applications in a wide range of machine learning tasks, such as invariant learning, AUPRC maximization, and meta-learning. As the demand for training models with large-scale distributed data grows in these applications, there is an increasing need for communication-efficient distributed optimization algorithms, such as federated learning algorithms. This paper considers the nonconvex conditional stochastic optimization in federated learning and proposes the first federated conditional stochastic optimization algorithm (FCSG) with a conditional stochastic gradient estimator and a momentum-based algorithm (\emph{i.e.}, FCSG-M). To match the lower bound complexity in the single-machine setting, we design an accelerated algorithm (Acc-FCSG-M) via the variance reduction to achieve the best sample and communication complexity. Compared with the existing optimization analysis for Meta-Learning in FL, federated conditional stochastic optimization considers the sample of tasks. Extensive experimental results on various tasks validate the efficiency of these algorithms.
LaFTer: Label-Free Tuning of Zero-shot Classifier using Language and Unlabeled Image Collections
Authors: Muhammad Jehanzeb Mirza, Leonid Karlinsky, Wei Lin, Horst Possegger, Mateusz Kozinski, Rogerio Feris, Horst Bischof
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recently, large-scale pre-trained Vision and Language (VL) models have set a new state-of-the-art (SOTA) in zero-shot visual classification enabling open-vocabulary recognition of potentially unlimited set of categories defined as simple language prompts. However, despite these great advances, the performance of these zero-shot classifiers still falls short of the results of dedicated (closed category set) classifiers trained with supervised fine-tuning. In this paper we show, for the first time, how to reduce this gap without any labels and without any paired VL data, using an unlabeled image collection and a set of texts auto-generated using a Large Language Model (LLM) describing the categories of interest and effectively substituting labeled visual instances of those categories. Using our label-free approach, we are able to attain significant performance improvements over the zero-shot performance of the base VL model and other contemporary methods and baselines on a wide variety of datasets, demonstrating absolute improvement of up to $11.7\%$ ($3.8\%$ on average) in the label-free setting. Moreover, despite our approach being label-free, we observe $1.3\%$ average gains over leading few-shot prompting baselines that do use 5-shot supervision.
Contextually Affinitive Neighborhood Refinery for Deep Clustering
Authors: Chunlin Yu, Ye Shi, Jingya Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Previous endeavors in self-supervised learning have enlightened the research of deep clustering from an instance discrimination perspective. Built upon this foundation, recent studies further highlight the importance of grouping semantically similar instances. One effective method to achieve this is by promoting the semantic structure preserved by neighborhood consistency. However, the samples in the local neighborhood may be limited due to their close proximity to each other,  which may not provide substantial and diverse supervision signals. Inspired by the versatile re-ranking methods in the context of image retrieval, we propose to employ an efficient online re-ranking process to mine more informative neighbors in a Contextually Affinitive (ConAff) Neighborhood, and then encourage the cross-view neighborhood consistency. To further mitigate the intrinsic neighborhood noises near cluster boundaries, we propose a progressively relaxed boundary filtering strategy to circumvent the issues brought by noisy neighbors. Our method can be easily integrated into the generic self-supervised frameworks and outperforms the state-of-the-art methods on several popular benchmarks.
Differentiable Blocks World: Qualitative 3D Decomposition by Rendering Primitives
Authors: Tom Monnier, Jake Austin, Angjoo Kanazawa, Alexei Efros, Mathieu Aubry
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Given a set of calibrated images of a scene, we present an approach that produces a simple, compact, and actionable 3D world representation by means of 3D primitives. While many approaches focus on recovering high-fidelity 3D scenes, we focus on parsing a scene into mid-level 3D representations made of a small set of textured primitives. Such representations are interpretable, easy to manipulate and suited for physics-based simulations. Moreover, unlike existing primitive decomposition methods that rely on 3D input data, our approach operates directly on images through differentiable rendering. Specifically, we model primitives as textured superquadric meshes and optimize their parameters from scratch with an image rendering loss. We highlight the importance of modeling transparency for each primitive, which is critical for optimization and also enables handling varying numbers of primitives. We show that the resulting textured primitives faithfully reconstruct the input images and accurately model the visible 3D points, while providing amodal shape completions of unseen object regions. We compare our approach to the state of the art on diverse scenes from DTU, and demonstrate its robustness on real-life captures from BlendedMVS and Nerfstudio. We also showcase how our results can be used to effortlessly edit a scene or perform physical simulations. Code and video results are available at https://www.tmonnier.com/DBW.
Learning Shared Safety Constraints from Multi-task Demonstrations
Authors: Konwoo Kim, Gokul Swamy, ZUXIN LIU, DING ZHAO, Sanjiban Choudhury, Steven Z. Wu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Regardless of the particular task we want to perform in an environment, there are often shared safety constraints we want our agents to respect. For example, regardless of whether it is making a sandwich or clearing the table, a kitchen robot should not break a plate. Manually specifying such a constraint can be both time-consuming and error-prone. We show how to learn constraints from expert demonstrations of safe task completion by extending inverse reinforcement learning (IRL) techniques to the space of constraints. Intuitively, we learn constraints that forbid highly rewarding behavior that the expert could have taken but chose not to. Unfortunately, the constraint learning problem is rather ill-posed and typically leads to overly conservative constraints that forbid all behavior that the expert did not take. We counter this by leveraging diverse demonstrations that naturally occur in multi-task setting to learn a tighter set of constraints. We validate our method with simulation experiments on high-dimensional continuous control tasks.
Don’t Stop Pretraining? Make Prompt-based Fine-tuning Powerful Learner
Authors: Zhengxiang Shi, Aldo Lipani
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Language models (LMs) trained on vast quantities of unlabelled data have greatly advanced the field of natural language processing (NLP). In this study, we re-visit the widely accepted notion in NLP that continued pre-training LMs on task-related texts improves the performance of fine-tuning (FT) in downstream tasks. Through experiments on eight single-sentence tasks and eight sentence-pair tasks in both semi-supervised and fully-supervised settings, we find that conventional continued pre-training does not consistently provide benefits and can even be detrimental for sentence-pair tasks or when prompt-based FT is used. To tackle these issues, we propose Prompt-based Continued Pre-training (PCP), which combines the idea of instruction tuning with conventional continued pre-training. Our approach aims to improve the performance of prompt-based FT by presenting both task-related texts and prompt templates to LMs through unsupervised pre-training objectives before fine-tuning for the target task. Our empirical evaluations on 21 benchmarks demonstrate that the PCP consistently improves the performance of state-of-the-art prompt-based FT approaches (up to 20.1% absolute) in both semi-supervised and fully-supervised settings, even with only hundreds of unlabelled examples. Additionally, prompt-based FT with PCP outperforms state-of-the-art semi-supervised approaches with greater simplicity, eliminating the need for an iterative process and extra data augmentation. Our further analysis explores the performance lower bound of the PCP and reveals that the advantages of PCP persist across different sizes of models and datasets.
GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
Authors: Haiteng Zhao, Shengchao Liu, Ma Chang, Hannan Xu, Jie Fu, Zhihong Deng, Lingpeng Kong, Qi Liu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Molecule property prediction has gained significant attention in recent years. The main bottleneck is the label insufficiency caused by expensive lab experiments. In order to alleviate this issue and to better leverage textual knowledge for tasks, this study investigates the feasibility of employing natural language instructions to accomplish molecule-related tasks in a zero-shot setting. We discover that existing molecule-text models perform poorly in this setting due to inadequate treatment of instructions and limited capacity for graphs.  To overcome these issues, we propose GIMLET, which unifies language models for both graph and text data. By adopting generalized position embedding, our model is extended to encode both graph structures and instruction text without additional graph encoding modules. GIMLET also decouples encoding of the graph from tasks instructions in the attention mechanism, enhancing the generalization of graph features across novel tasks. We construct a dataset consisting of more than two thousand molecule tasks with corresponding instructions derived from task descriptions. We pretrain GIMLET on the molecule tasks along with instructions, enabling the model to transfer effectively to a broad range of tasks. Experimental results demonstrate that GIMLET significantly outperforms molecule-text baselines in instruction-based zero-shot learning, even achieving closed results to supervised GNN models on tasks such as toxcast and muv.
GEX: A flexible method for approximating influence via Geometric Ensemble
Authors: SungYub Kim, Kyungsu Kim, Eunho Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Through a deeper understanding of predictions of neural networks, Influence Function (IF) has been applied to various tasks such as detecting and relabeling mislabeled samples, dataset pruning, and separation of data sources in practice. However, we found standard approximations of IF suffer from performance degradation due to oversimplified influence distributions caused by their bilinear approximation, suppressing the expressive power of samples with a relatively strong influence. To address this issue, we propose a new interpretation of existing IF approximations as an average relationship between two linearized losses over parameters sampled from the Laplace approximation (LA). In doing so, we highlight two significant limitations of current IF approximations: the linearity of gradients and the singularity of Hessian. Accordingly, by improving each point, we introduce a new IF approximation method with the following features: i) the removal of linearization to alleviate the bilinear constraint and ii) the utilization of Geometric Ensemble (GE) tailored for non-linear losses. Empirically, our approach outperforms existing IF approximations for downstream tasks with lighter computation, thereby providing new feasibility of low-complexity/nonlinear-based IF design.
Offline Reinforcement Learning for Mixture-of-Expert Dialogue Management
Authors: Dhawal Gupta, Yinlam Chow, Azamat Tulepbergenov, Mohammad Ghavamzadeh, Craig Boutilier
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Reinforcement learning (RL) has shown great promise for developing agents for dialogue management (DM) that are non-myopic, conduct rich conversations, and maximize overall user satisfaction. Despite the advancements in RL and language models (LMs), employing RL to drive conversational chatbots still poses significant challenges. A primary issue stems from RL’s dependency on online exploration for effective learning, a process that can be costly. Moreover, engaging in online interactions with humans during the training phase can raise safety concerns, as the LM can potentially generate unwanted outputs. This issue is exacerbated by the combinatorial action spaces facing these algorithms, as most LM agents generate responses at the word level. We develop various RL algorithms, specialized in dialogue planning, that leverage recent Mixture-of-Expert Language Models (MoE-LMs)---models that capture diverse semantics, generate utterances reflecting different intents, and are amenable for multi-turn DM. By exploiting the MoE-LM structure, our methods significantly reduce the size of the action space and improve the efficacy of RL-based DM. We evaluate our methods in open-domain dialogue to demonstrate their effectiveness with respect to the diversity of intent in generated utterances and overall DM performance.
Binary Classification with Confidence Difference
Authors: Wei Wang, Lei Feng, Yuchen Jiang, Gang Niu, Min-Ling Zhang, Masashi Sugiyama
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recently, learning with soft labels has been shown to achieve better performance than learning with hard labels in terms of model generalization, calibration, and robustness. However, collecting pointwise labeling confidence for all training examples can be challenging and time-consuming in real-world scenarios. This paper delves into a novel weakly supervised binary classification problem called confidence-difference (ConfDiff) classification. Instead of pointwise labeling confidence, we are given only unlabeled data pairs with confidence difference that specifies the difference in the probabilities of being positive. We propose a risk-consistent approach to tackle this problem and show that the estimation error bound achieves the optimal convergence rate. We also introduce a risk correction approach to mitigate overfitting problems, whose consistency and convergence rate are also proven. Extensive experiments on benchmark data sets and a real-world recommender system data set validate the effectiveness of our proposed approaches in exploiting the supervision information of the confidence difference.
On student-teacher deviations in distillation: does it pay to disobey?
Authors: Vaishnavh Nagarajan, Aditya K Menon, Srinadh Bhojanapalli, Hossein Mobahi, Sanjiv Kumar
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Knowledge distillation (KD) has been widely used to improve the test accuracy of a "student" network, by training it to mimic the soft probabilities of a trained "teacher" network. Yet, it has been shown in recent work that, despite being trained to fit the teacher's probabilities, the student may not only significantly deviate from the teacher probabilities, but may also outdo than the teacher in performance. Our work aims to reconcile this seemingly paradoxical observation. Specifically, we characterize the precise nature of the student-teacher deviations, and argue how they can co-occur with better generalization.  First, through experiments on  image and language data, we identify that these probability deviations correspond to the student systematically exaggerating the confidence levels of the teacher.Next, we theoretically and empirically establish another form of exaggeration in some simple settings: KD exaggerates the implicit bias of gradient descent in converging faster along the top eigendirections of the data. Finally, we tie these two observations together: we demonstrate that the exaggerated bias of KD can simultaneously result in both (a) the exaggeration of confidence and (b) the improved generalization of the student, thus offering a resolution to the apparent paradox.  Our analysis brings existing theory and practice closer by considering the role of gradient descent in KD and by demonstrating the exaggerated bias effect in both theoretical and empirical settings.
Resilient Multiple Choice Learning: A learned scoring scheme with application to audio scene analysis
Authors: Victor Letzelter, Mathieu Fontaine, Mickael Chen, Patrick Pérez, Slim Essid, Gaël Richard
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We introduce Resilient Multiple Choice Learning (rMCL), an extension of the MCL approach for conditional distribution estimation in regression settings where multiple targets may be sampled for each training input.Multiple Choice Learning is a simple framework to tackle multimodal density estimation, using the Winner-Takes-All (WTA) loss for a set of hypotheses. In regression settings, the existing MCL variants focus on merging the hypotheses, thereby eventually sacrificing the diversity of the predictions. In contrast, our method relies on a novel learned scoring scheme underpinned by a mathematical framework based on Voronoi tessellations of the output space, from which we can derive a probabilistic interpretation.After empirically validating rMCL with experiments on synthetic data, we further assess its merits on the sound source localization problem, demonstrating its practical usefulness and the relevance of its interpretation.
Graph of Circuits with GNN for Exploring the Optimal Design Space
Authors: Aditya Shahane, Saripilli Swapna Manjiri, Ankesh Jain, Sandeep Kumar
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The design automation of analog circuits poses significant challenges in terms of the large design space, complex interdependencies between circuit specifications, and resource-intensive simulations. To address these challenges, this paper presents an innovative framework called the Graph of Circuits Explorer (GCX). Leveraging graph structure learning along with graph neural networks, GCX enables the creation of a surrogate model that facilitates efficient exploration of the optimal design space within a semi-supervised learning framework which reduces the need for large labelled datasets. The proposed approach comprises three key stages. First, we learn the geometric representation of circuits and enrich it with technology information to create a comprehensive feature vector. Subsequently, integrating feature-based graph learning with few-shot and zero-shot learning  enhances the generalizability in predictions for unseen circuits. Finally, we introduce two algorithms namely, EASCO and ASTROG which upon integration with GCX optimize the available samples to yield the optimal circuit configuration meeting the designer's criteria. The effectiveness of the proposed approach is demonstrated through simulated performance evaluation of various circuits, using derived parameters in 180nm CMOS technology. Furthermore, the generalizability of the approach is extended to higher-order topologies and different technology nodes such as 65nm and 45nm CMOS process nodes.
Structure-free Graph Condensation: From Large-scale Graphs to Condensed Graph-free Data
Authors: Xin Zheng, Miao Zhang, Chunyang Chen, Quoc Viet Hung Nguyen, Xingquan Zhu, Shirui Pan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph condensation, which reduces the size of a large-scale graph by synthesizing a small-scale condensed graph as its substitution, has immediate benefits for various graph learning tasks.However, existing graph condensation methods rely on the joint optimization of nodes and structures in the condensed graph, and overlook critical issues in effectiveness and generalization ability.In this paper, we advocate a new Structure-Free Graph Condensation paradigm, named SFGC, to distill a large-scale graph into a small-scale graph node set without explicit graph structures, i.e., graph-free data.Our idea is to implicitly encode topology structure information into the node attributes in the synthesized graph-free data, whose topology is reduced to an identity matrix.Specifically, SFGC contains two collaborative components: (1) a training trajectory meta-matching scheme for effectively synthesizing small-scale graph-free data;(2) a graph neural feature score metric for dynamically evaluating the quality of the condensed data. Through training trajectory meta-matching, SFGC aligns the long-term GNN learning behaviors between the large-scale graph and the condensed small-scale graph-free data, ensuring comprehensive and compact transfer of informative knowledge to the graph-free data.Afterward, the underlying condensed graph-free data would be dynamically evaluated with the graph neural feature score, which is a closed-form metric for ensuring the excellent expressiveness of the condensed graph-free data.Extensive experiments verify the superiority of SFGC across different condensation ratios.
Visual Programming for Step-by-Step Text-to-Image Generation and Evaluation
Authors: Jaemin Cho, Abhay Zala, Mohit Bansal
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As large language models have demonstrated impressive performance in many domains, recent works have adopted language models (LMs) as controllers of visual modules for vision-and-language tasks. While existing work focuses on equipping LMs with visual understanding, we propose two novel interpretable/explainable visual programming frameworks for text-to-image (T2I) generation and evaluation. First, we introduce VPGen, an interpretable step-by-step T2I generation framework that decomposes T2I generation into three steps: object/count generation, layout generation, and image generation. We employ an LM to handle the first two steps (object/count generation and layout generation), by finetuning it on text-layout pairs. Our step-by-step T2I generation framework provides stronger spatial control than end-to-end models, the dominant approach for this task. Furthermore, we leverage the world knowledge of pretrained LMs, overcoming the limitation of previous layout-guided T2I works that can only handle predefined object classes. We demonstrate that our VPGen has improved control in counts/spatial relations/scales of objects than state-of-the-art T2I generation models. Second, we introduce VPEval, an interpretable and explainable evaluation framework for T2I generation based on visual programming. Unlike previous T2I evaluations with a single scoring model that is accurate in some skills but unreliable in others, VPEval produces evaluation programs that invoke a set of visual modules that are experts in different skills, and also provides visual+textual explanations of the evaluation results. Our analysis shows that VPEval provides a more human-correlated evaluation for skill-specific and open-ended prompts than widely used single model-based evaluation. We hope that our work encourages future progress on interpretable/explainable generation and evaluation for T2I models.