OpenRaiser/Intern-Atlas huggingface dataset:
Asymmetric Certified Robustness via Feature-Convex Neural Networks
Venue: Conference NeurIPS 2023
Year: 2023

Recent works have introduced input-convex neural networks (ICNNs) as learning models with advantageous training, inference, and generalization properties linked to their convex structure. In this paper, we propose a novel feature-convex neural network architecture as the composition of an ICNN with a Lipschitz feature map in order to achieve adversarial robustness. We consider the asymmetric binary classification setting with one "sensitive" class, and for this class we prove deterministic, closed-form, and easily-computable certified robust radii for arbitrary $\ell_p$-norms. We theoretically justify the use of these models by characterizing their decision region geometry, extending the universal approximation theorem for ICNN regression to the classification setting, and proving a lower bound on the probability that such models perfectly fit even unstructured uniformly distributed data in sufficiently high dimensions. Experiments on Malimg malware classification and subsets of MNIST, Fashion-MNIST, and CIFAR-10 datasets show that feature-convex classifiers attain state-of-the-art certified $\ell_1$-radii as well as substantial $\ell_2$- and $\ell_{\infty}$-radii while being far more computationally efficient than any competitive baseline.
Offline Multi-Agent Reinforcement Learning with Implicit Global-to-Local Value Regularization
Venue: Conference NeurIPS 2023
Year: 2023

Offline reinforcement learning (RL) has received considerable attention in recent years due to its attractive capability of learning policies from offline datasets without environmental interactions. Despite some success in the single-agent setting, offline multi-agent RL (MARL) remains to be a challenge. The large joint state-action space and the coupled multi-agent behaviors pose extra complexities for offline policy optimization. Most existing offline MARL studies simply apply offline data-related regularizations on individual agents, without fully considering the multi-agent system at the global level. In this work, we present OMIGA, a new offline m ulti-agent RL algorithm with implicit global-to-local v alue regularization. OMIGA provides a principled framework to convert global-level value regularization into equivalent implicit local value regularizations and simultaneously enables in-sample learning, thus elegantly bridging multi-agent value decomposition and policy learning with offline regularizations. Based on comprehensive experiments on the offline multi-agent MuJoCo and StarCraft II micro-management tasks, we show that OMIGA achieves superior performance over the state-of-the-art offline MARL methods in almost all tasks.
Benchmarking Large Language Models on CMExam - A comprehensive Chinese Medical Exam Dataset
Venue: Conference NeurIPS 2023
Year: 2023

Recent advancements in large language models (LLMs) have transformed the field of question answering (QA). However, evaluating LLMs in the medical field is challenging due to the lack of standardized and comprehensive datasets. To address this gap, we introduce CMExam, sourced from the Chinese National Medical Licensing Examination. CMExam consists of 60K+ multiple-choice questions for standardized and objective evaluations, as well as solution explanations for model reasoning evaluation in an open-ended manner. For in-depth analyses of LLMs, we invited medical professionals to label five additional question-wise annotations, including disease groups, clinical departments, medical disciplines, areas of competency, and question difficulty levels. Alongside the dataset, we further conducted thorough experiments with representative LLMs and QA algorithms on CMExam. The results show that GPT-4 had the best accuracy of 61.6% and a weighted F1 score of 0.617. These results highlight a great disparity when compared to human accuracy, which stood at 71.6%. For explanation tasks, while LLMs could generate relevant reasoning and demonstrate improved performance after finetuning, they fall short of a desired standard, indicating ample room for improvement. To the best of our knowledge, CMExam is the first Chinese medical exam dataset to provide comprehensive medical annotations. The experiments and findings of LLM evaluation also provide valuable insights into the challenges and potential solutions in developing Chinese medical QA systems and LLM evaluation pipelines. The dataset and relevant code are available at https://github.com/williamliujl/CMExam.
Hardness of Low Rank Approximation of Entrywise Transformed Matrix Products
Venue: Conference NeurIPS 2023
Year: 2023

Inspired by fast algorithms in natural language processing, we study low rank approximation in the entrywise transformed setting where we want to find a good rank $k$ approximation to $f(U \cdot V)$, where $U, V^\top \in \mathbb{R}^{n \times r}$ are given, $r = O(\log(n))$, and $f(x)$ is a general scalar function. Previous work in sublinear low rank approximation has shown that if both (1) $U = V^\top$ and (2) $f(x)$ is a PSD kernel function, then there is an $O(nk^{ω-1})$ time constant relative error approximation algorithm, where $ω\approx 2.376$ is the exponent of matrix multiplication. We give the first conditional time hardness results for this problem, demonstrating that both conditions (1) and (2) are in fact necessary for getting better than $n^{2-o(1)}$ time for a relative error low rank approximation for a wide class of functions. We give novel reductions from the Strong Exponential Time Hypothesis (SETH) that rely on lower bounding the leverage scores of flat sparse vectors and hold even when the rank of the transformed matrix $f(UV)$ and the target rank are $n^{o(1)}$, and when $U = V^\top$. Furthermore, even when $f(x) = x^p$ is a simple polynomial, we give runtime lower bounds in the case when $U \neq V^\top$ of the form $Ω(\min(n^{2-o(1)}, Ω(2^p)))$. Lastly, we demonstrate that our lower bounds are tight by giving an $O(n \cdot \text{poly}(k, 2^p, 1/ε))$ time relative error approximation algorithm and a fast $O(n \cdot \text{poly}(k, p, 1/ε))$ additive error approximation using fast tensor-based sketching. Additionally, since our low rank algorithms rely on matrix-vector product subroutines, our lower bounds extend to show that computing $f(UV)W$, for even a small matrix $W$, requires $Ω(n^{2-o(1)})$ time.
Efficient Training of Energy-Based Models Using Jarzynski Equality
Venue: Conference NeurIPS 2023
Year: 2023

Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning. Their performance is best measured by the cross-entropy (CE) of the model distribution relative to the data distribution. Using the CE as the objective for training is however challenging because the computation of its gradient with respect to the model parameters requires sampling the model distribution. Here we show how results for nonequilibrium thermodynamics based on Jarzynski equality together with tools from sequential Monte-Carlo sampling can be used to perform this computation efficiently and avoid the uncontrolled approximations made using the standard contrastive divergence algorithm. Specifically, we introduce a modification of the unadjusted Langevin algorithm (ULA) in which each walker acquires a weight that enables the estimation of the gradient of the cross-entropy at any step during GD, thereby bypassing sampling biases induced by slow mixing of ULA. We illustrate these results with numerical experiments on Gaussian mixture distributions as well as the MNIST dataset. We show that the proposed approach outperforms methods based on the contrastive divergence algorithm in all the considered situations.
High Precision Causal Model Evaluation with Conditional Randomization
Venue: Conference NeurIPS 2023
Year: 2023

The gold standard for causal model evaluation involves comparing model predictions with true effects estimated from randomized controlled trials (RCT). However, RCTs are not always feasible or ethical to perform. In contrast, conditionally randomized experiments based on inverse probability weighting (IPW) offer a more realistic approach but may suffer from high estimation variance. To tackle this challenge and enhance causal model evaluation in real-world conditional randomization settings, we introduce a novel low-variance estimator for causal error, dubbed as the pairs estimator. By applying the same IPW estimator to both the model and true experimental effects, our estimator effectively cancels out the variance due to IPW and achieves a smaller asymptotic variance. Empirical studies demonstrate the improved of our estimator, highlighting its potential on achieving near-RCT performance. Our method offers a simple yet powerful solution to evaluate causal inference models in conditional randomization settings without complicated modification of the IPW estimator itself, paving the way for more robust and reliable model assessments.
Reducing Blackwell and Average Optimality to Discounted MDPs via the Blackwell Discount Factor
Venue: Conference NeurIPS 2023
Year: 2023

We introduce the Blackwell discount factor for Markov Decision Processes (MDPs). Classical objectives for MDPs include discounted, average, and Blackwell optimality. Many existing approaches to computing average-optimal policies solve for discounted optimal policies with a discount factor close to $1$, but they only work under strong or hard-to-verify assumptions such as ergodicity or weakly communicating MDPs. In this paper, we show that when the discount factor is larger than the Blackwell discount factor $γ_{\mathrm{bw}}$, all discounted optimal policies become Blackwell- and average-optimal, and we derive a general upper bound on $γ_{\mathrm{bw}}$. The upper bound on $γ_{\mathrm{bw}}$ provides the first reduction from average and Blackwell optimality to discounted optimality, without any assumptions, and new polynomial-time algorithms for average- and Blackwell-optimal policies. Our work brings new ideas from the study of polynomials and algebraic numbers to the analysis of MDPs. Our results also apply to robust MDPs, enabling the first algorithms to compute robust Blackwell-optimal policies.
SPAE: Semantic Pyramid AutoEncoder for Multimodal Generation with Frozen LLMs
Venue: Conference NeurIPS 2023
Year: 2023

In this work, we introduce Semantic Pyramid AutoEncoder (SPAE) for enabling frozen LLMs to perform both understanding and generation tasks involving non-linguistic modalities such as images or videos. SPAE converts between raw pixels and interpretable lexical tokens (or words) extracted from the LLM's vocabulary. The resulting tokens capture both the semantic meaning and the fine-grained details needed for visual reconstruction, effectively translating the visual content into a language comprehensible to the LLM, and empowering it to perform a wide array of multimodal tasks. Our approach is validated through in-context learning experiments with frozen PaLM 2 and GPT 3.5 on a diverse set of image understanding and generation tasks. Our method marks the first successful attempt to enable a frozen LLM to generate image content while surpassing state-of-the-art performance in image understanding tasks, under the same setting, by over 25%.
Energy-based learning algorithms for analog computing: a comparative study
Venue: Conference NeurIPS 2023
Year: 2023

Energy-based learning algorithms have recently gained a surge of interest due to their compatibility with analog (post-digital) hardware. Existing algorithms include contrastive learning (CL), equilibrium propagation (EP) and coupled learning (CpL), all consisting in contrasting two states, and differing in the type of perturbation used to obtain the second state from the first one. However, these algorithms have never been explicitly compared on equal footing with same models and datasets, making it difficult to assess their scalability and decide which one to select in practice. In this work, we carry out a comparison of seven learning algorithms, namely CL and different variants of EP and CpL depending on the signs of the perturbations. Specifically, using these learning algorithms, we train deep convolutional Hopfield networks (DCHNs) on five vision tasks (MNIST, F-MNIST, SVHN, CIFAR-10 and CIFAR-100). We find that, while all algorithms yield comparable performance on MNIST, important differences in performance arise as the difficulty of the task increases. Our key findings reveal that negative perturbations are better than positive ones, and highlight the centered variant of EP (which uses two perturbations of opposite sign) as the best-performing algorithm. We also endorse these findings with theoretical arguments. Additionally, we establish new SOTA results with DCHNs on all five datasets, both in performance and speed. In particular, our DCHN simulations are 13.5 times faster with respect to Laborieux et al. (2021), which we achieve thanks to the use of a novel energy minimisation algorithm based on asynchronous updates, combined with reduced precision (16 bits).
Behavior Alignment via Reward Function Optimization
Venue: Conference NeurIPS 2023
Year: 2023

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn \emph{behavior alignment reward functions}. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.
Tuning Multi-mode Token-level Prompt Alignment across Modalities
Venue: Conference NeurIPS 2023
Year: 2023

Advancements in prompt tuning of vision-language models have underscored their potential in enhancing open-world visual concept comprehension. However, prior works only primarily focus on single-mode (only one prompt for each modality) and holistic level (image or sentence) semantic alignment, which fails to capture the sample diversity, leading to sub-optimal prompt discovery. To address the limitation, we propose a multi-mode token-level tuning framework that leverages the optimal transportation to learn and align a set of prompt tokens across modalities. Specifically, we rely on two essential factors: 1) multi-mode prompts discovery, which guarantees diverse semantic representations, and 2) token-level alignment, which helps explore fine-grained similarity. Consequently, the similarity can be calculated as a hierarchical transportation problem between the modality-specific sets. Extensive experiments on popular image recognition benchmarks show the superior generalization and few-shot abilities of our approach. The qualitative analysis demonstrates that the learned prompt tokens have the ability to capture diverse visual concepts.
Censored Sampling of Diffusion Models Using 3 Minutes of Human Feedback
Venue: Conference NeurIPS 2023
Year: 2023

Diffusion models have recently shown remarkable success in high-quality image generation. Sometimes, however, a pre-trained diffusion model exhibits partial misalignment in the sense that the model can generate good images, but it sometimes outputs undesirable images. If so, we simply need to prevent the generation of the bad images, and we call this task censoring. In this work, we present censored generation with a pre-trained diffusion model using a reward model trained on minimal human feedback. We show that censoring can be accomplished with extreme human feedback efficiency and that labels generated with a mere few minutes of human feedback are sufficient. Code available at: https://github.com/tetrzim/diffusion-human-feedback.
Harnessing Hard Mixed Samples with Decoupled Regularizer
Venue: Conference NeurIPS 2023
Year: 2023

Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous static policies effectively (e.g., linear interpolation) by maximizing target-related salient regions in mixed samples, but excessive additional time costs are not acceptable. These additional computational overheads mainly come from optimizing the mixed samples according to the mixed labels. However, we found that the extra optimizing step may be redundant because label-mismatched mixed samples are informative hard mixed samples for deep models to localize discriminative features. In this paper, we thus are not trying to propose a more complicated dynamic mixup policy but rather an efficient mixup objective function with a decoupled regularizer named Decoupled Mixup (DM). The primary effect is that DM can adaptively utilize those hard mixed samples to mine discriminative features without losing the original smoothness of mixup. As a result, DM enables static mixup methods to achieve comparable or even exceed the performance of dynamic methods without any extra computation. This also leads to an interesting objective design problem for mixup training that we need to focus on both smoothing the decision boundaries and identifying discriminative features. Extensive experiments on supervised and semi-supervised learning benchmarks across seven datasets validate the effectiveness of DM as a plug-and-play module. Source code and models are available at https://github.com/Westlake-AI/openmixup
The Utility of “Even if” Semifactual Explanation to Optimise Positive Outcomes
Venue: Conference NeurIPS 2023
Year: 2023

When users receive either a positive or negative outcome from an automated system, Explainable AI (XAI) has almost exclusively focused on how to mutate negative outcomes into positive ones by crossing a decision boundary using counterfactuals (e.g., \textit{"If you earn 2k more, we will accept your loan application"}). Here, we instead focus on \textit{positive} outcomes, and take the novel step of using XAI to optimise them (e.g., \textit{"Even if you wish to half your down-payment, we will still accept your loan application"}). Explanations such as these that employ "even if..." reasoning, and do not cross a decision boundary, are known as semifactuals. To instantiate semifactuals in this context, we introduce the concept of \textit{Gain} (i.e., how much a user stands to benefit from the explanation), and consider the first causal formalisation of semifactuals. Tests on benchmark datasets show our algorithms are better at maximising gain compared to prior work, and that causality is important in the process. Most importantly however, a user study supports our main hypothesis by showing people find semifactual explanations more useful than counterfactuals when they receive the positive outcome of a loan acceptance.
Katakomba: Tools and Benchmarks for Data-Driven NetHack
Venue: Conference NeurIPS 2023
Year: 2023

NetHack is known as the frontier of reinforcement learning research where learning-based methods still need to catch up to rule-based solutions. One of the promising directions for a breakthrough is using pre-collected datasets similar to recent developments in robotics, recommender systems, and more under the umbrella of offline reinforcement learning (ORL). Recently, a large-scale NetHack dataset was released; while it was a necessary step forward, it has yet to gain wide adoption in the ORL community. In this work, we argue that there are three major obstacles for adoption: resource-wise, implementation-wise, and benchmark-wise. To address them, we develop an open-source library that provides workflow fundamentals familiar to the ORL community: pre-defined D4RL-style tasks, uncluttered baseline implementations, and reliable evaluation tools with accompanying configs and logs synced to the cloud.
Deep Neural Collapse Is Provably Optimal for the Deep Unconstrained Features Model
Venue: Conference NeurIPS 2023
Year: 2023

Neural collapse (NC) refers to the surprising structure of the last layer of deep neural networks in the terminal phase of gradient descent training. Recently, an increasing amount of experimental evidence has pointed to the propagation of NC to earlier layers of neural networks. However, while the NC in the last layer is well studied theoretically, much less is known about its multi-layered counterpart - deep neural collapse (DNC). In particular, existing work focuses either on linear layers or only on the last two layers at the price of an extra assumption. Our paper fills this gap by generalizing the established analytical framework for NC - the unconstrained features model - to multiple non-linear layers. Our key technical contribution is to show that, in a deep unconstrained features model, the unique global optimum for binary classification exhibits all the properties typical of DNC. This explains the existing experimental evidence of DNC. We also empirically show that (i) by optimizing deep unconstrained features models via gradient descent, the resulting solution agrees well with our theory, and (ii) trained networks recover the unconstrained features suitable for the occurrence of DNC, thus supporting the validity of this modeling principle.
IEBins: Iterative Elastic Bins for Monocular Depth Estimation
Venue: Conference NeurIPS 2023
Year: 2023

Monocular depth estimation (MDE) is a fundamental topic of geometric computer vision and a core technique for many downstream applications. Recently, several methods reframe the MDE as a classification-regression problem where a linear combination of probabilistic distribution and bin centers is used to predict depth. In this paper, we propose a novel concept of iterative elastic bins (IEBins) for the classification-regression-based MDE. The proposed IEBins aims to search for high-quality depth by progressively optimizing the search range, which involves multiple stages and each stage performs a finer-grained depth search in the target bin on top of its previous stage. To alleviate the possible error accumulation during the iterative process, we utilize a novel elastic target bin to replace the original target bin, the width of which is adjusted elastically based on the depth uncertainty. Furthermore, we develop a dedicated framework composed of a feature extractor and an iterative optimizer that has powerful temporal context modeling capabilities benefiting from the GRU-based architecture. Extensive experiments on the KITTI, NYU-Depth-v2 and SUN RGB-D datasets demonstrate that the proposed method surpasses prior state-of-the-art competitors. The source code is publicly available at https://github.com/ShuweiShao/IEBins.