论文检索

Deep Learning/Everything Else

Lothar D Narins, Andrew Scott, Aakash Gautam, Anagha Kulkarni, Mar Castanon, Benjamin Kao, Shasta Ihorn, Yue-Ting Siu, James M. Mason, Alexander Blum 等

We present a new high-quality validated image caption rating (VICR) dataset. How well a caption fits an image can be difficult to assess due to the subjective nature of caption quality. How do we evaluate whether a caption is good? We generated a new dataset to help answer this question by using our new image caption rating system, which consists of a novel robust rating scale and gamified approach to gathering human ratings. We show that our approach is consistent and teachable. 113 participants were involved in generating the dataset, which is composed of 68,217 ratings among 15,646 image-caption pairs. Our new dataset has greater inter-rater agreement than the state of the art, and custom machine learning rating predictors that were trained on our dataset outperform previous metrics. We improve over Flickr8k-Expert in Kendall's $W$ by 12\% and in Fleiss' $\kappa$ by 19\%, and thus provide a new benchmark dataset for image caption rating.

Applications/Everything Else

Can (Sam) Chen, Christopher Beckham, Zixuan Liu, Xue (Steve) Liu, Chris Pal

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots, DNA sequences, and proteins. A common approach trains a proxy on the static dataset and performs gradient ascent to obtain new designs. However, this often results in poor designs due to the proxy inaccuracies for out-of-distribution designs. Recent studies indicate that (a) gradient ascent with a mean ensemble of proxies generally outperforms simple gradient ascent, and (b) a trained proxy provides weak ranking supervision signals for design selection. Motivated by (a) and (b), we propose $\textit{parallel-mentoring}$ as an effective and novel method that facilitates mentoring among proxies, creating a more robust ensemble to mitigate the out-of-distribution issue. We focus on the three-proxy case in the main paper and our method consists of two modules. The first module, $\textit{voting-based pairwise supervision}$, operates on three parallel proxies and captures their ranking supervision signals as pairwise comparison labels. These labels are combined through majority voting to generate consensus labels, which incorporates ranking supervision signals from all proxies and enables mutual mentoring. Yet, label noise arises due to possible incorrect consensus. To alleviate this, we introduce an $\textit{adaptive soft-labeling}$ module with soft-labels initialized as consensus labels. Based on bi-level optimization, this module fine-tunes proxies in the inner level and learns more accurate labels in the outer level to adaptively mentor proxies, resulting in a more robust ensemble. Experiments validate the effectiveness of our method. Our code is available here.

Social Aspects/Fairness, Equity, Justice and Safety

Samuel Dooley, Rhea Sukthanker, John Dickerson, Colin White, Frank Hutter, Micah Goldblum

Face recognition systems are widely deployed in safety-critical applications, including law enforcement, yet they exhibit bias across a range of socio-demographic dimensions, such as gender and race. Conventional wisdom dictates that model biases arise from biased training data. As a consequence, previous works on bias mitigation largely focused on pre-processing the training data, adding penalties to prevent bias from effecting the model during training, or post-processing predictions to debias them, yet these approaches have shown limited success on hard problems such as face recognition. In our work, we discover that biases are actually inherent to neural network architectures themselves. Following this reframing, we conduct the first neural architecture search for fairness, jointly with a search for hyperparameters. Our search outputs a suite of models which Pareto-dominate all other high-performance architectures and existing bias mitigation methods in terms of accuracy and fairness, often by large margins, on the two most widely used datasets for face identification, CelebA and VGGFace2. Furthermore, these models generalize to other datasets and sensitive attributes. We release our code, models and raw data files at https://github.com/dooleys/FR-NAS.

Deep Learning/Sequential Models, Time series

Samuel Dooley, Gurnoor Singh Khurana, Chirag Mohapatra, Siddartha V Naidu, Colin White

The vast majority of time-series forecasting approaches require a substantial training dataset. However, many real-life forecasting applications have very little initial observations, sometimes just 40 or fewer. Thus, the applicability of most forecasting methods is restricted in data-sparse commercial applications. While there is recent work in the setting of very limited initial data (so-called `zero-shot' forecasting), its performance is inconsistent depending on the data used for pretraining. In this work, we take a different approach and devise ForecastPFN, the first zero-shot forecasting model trained purely on a novel synthetic data distribution. ForecastPFN is a prior-data fitted network, trained to approximate Bayesian inference, which can make predictions on a new time series dataset in a single forward pass. Through extensive experiments, we show that zero-shot predictions made by ForecastPFN are more accurate and faster compared to state-of-the-art forecasting methods, even when the other methods are allowed to train on hundreds of additional in-distribution data points.

Social Aspects/Privacy-preserving Statistics and Machine Learning

Yiting Dong, Yang Li, Dongcheng Zhao, Guobin Shen, Yi Zeng

The prevalence of violence in daily life poses significant threats to individuals' physical and mental well-being. Using surveillance cameras in public spaces has proven effective in proactively deterring and preventing such incidents. However, concerns regarding privacy invasion have emerged due to their widespread deployment.To address the problem, we leverage Dynamic Vision Sensors (DVS) cameras to detect violent incidents and preserve privacy since it captures pixel brightness variations instead of static imagery. We introduce the Bullying10K dataset, encompassing various actions, complex movements, and occlusions from real-life scenarios. It provides three benchmarks for evaluating different tasks: action recognition, temporal action localization, and pose estimation. With 10,000 event segments, totaling 12 billion events and 255 GB of data, Bullying10K contributes significantly by balancing violence detection and personal privacy persevering. And it also poses a challenge to the neuromorphic dataset. It will serve as a valuable resource for training and developing privacy-protecting video systems. The Bullying10K opens new possibilities for innovative approaches in these domains.

Nate Gruver, Samuel Stanton, Nathan Frey, Tim G. J. Rudner, Isidro Hotzel, Julien Lafrance-Vanasse, Arvind Rajpal, Kyunghyun Cho, Andrew Wilson

A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with high fitness. Given its broad success in conditional sampling, classifier-guided diffusion modeling is a promising foundation for protein design, leading many to develop guided diffusion models for structure with inverse folding to recover sequences. In this work, we propose diffusioN Optimized Sampling (NOS), a guidance method for discrete diffusion models that follows gradients in the hidden states of the denoising network. NOS makes it possible to perform design directly in sequence space, circumventing significant limitations of structure-based methods, including scarce data and challenging inverse design. Moreover, we use NOS to generalize LaMBO, a Bayesian optimization procedure for sequence design that facilitates multiple objectives and edit-based constraints. The resulting method, LaMBO-2, enables discrete diffusions and stronger performance with limited edits through a novel application of saliency maps. We apply LaMBO-2 to a real-world protein design task, optimizing antibodies for higher expression yield and binding affinity to several therapeutic targets under locality and developability constraints, attaining a 99\% expression rate and 40\% binding rate in exploratory in vitro experiments.

Applications/Computer Vision

Sepidehsadat (Sepid) Hossieni, Mohammad Amin Shabani, Saghar Irandoust, Yasutaka Furukawa

This paper presents an end-to-end neural architecture based on Diffusion Models for spatial puzzle solving, particularly jigsaw puzzle and room arrangement tasks.In the latter task, for instance, the proposed system ``PuzzleFusion'' takes a set of room layouts as polygonal curves in the top-down view and aligns the room layout pieces by estimating their 2D translations and rotations, akin to solving the jigsaw puzzle of room layouts. A surprising discovery of the paper is that the simple use of a Diffusion Model effectively solves these challenging spatial puzzle tasks as a conditional generation process. To enable learning of an end-to-end neural system, the paper introduces new datasets with ground-truth arrangements: 1) 2D Voronoi Jigsaw Dataset, a synthetic one where pieces are generated by voronoi diagram of 2D pointset; and 2) MagicPlan Dataset, a real one from a production pipeline by MagicPlan, where pieces are room layouts constructed by augmented reality App by real-estate consumers.The qualitative and quantitative evaluations demonstrate that the proposed approach outperforms the competing methods by significant margins in all three spatial puzzle tasks. We have provided code and data in https://sepidsh.github.io/puzzlefusion.

Miscellaneous Aspects of Machine Learning/Representation Learning

Michael Kirchhof, Bálint Mucsányi, Seong Joon Oh, Dr. Enkelejda Kasneci

Representation learning has significantly driven the field to develop pretrained models that can act as a valuable starting point when transferring to new datasets. With the rising demand for reliable machine learning and uncertainty quantification, there is a need for pretrained models that not only provide embeddings but also transferable uncertainty estimates. To guide the development of such models, we propose the Uncertainty-aware Representation Learning (URL) benchmark. Besides the transferability of the representations, it also measures the zero-shot transferability of the uncertainty estimate using a novel metric. We apply URL to evaluate ten uncertainty quantifiers that are pretrained on ImageNet and transferred to eight downstream datasets. We find that approaches that focus on the uncertainty of the representation itself or estimate the prediction risk directly outperform those that are based on the probabilities of upstream classes. Yet, achieving transferable uncertainty quantification remains an open challenge. Our findings indicate that it is not necessarily in conflict with traditional representation learning goals. Code is available at [https://github.com/mkirchhof/url](https://github.com/mkirchhof/url).

Deep Learning/Generative Models and Autoencoders

Nic Fishman, Leo Klarner, Emile Mathieu, Michael Hutchinson, Valentin De Bortoli

Denoising diffusion models have recently emerged as the predominant paradigm for generative modelling on image domains. In addition, their extension to Riemannian manifolds has facilitated a range of applications across the natural sciences. While many of these problems stand to benefit from the ability to specify arbitrary, domain-informed constraints, this setting is not covered by the existing (Riemannian) diffusion model methodology. Recent work has attempted to address this issue by constructing novel noising processes based on the reflected Brownian motion and logarithmic barrier methods. However, the associated samplers are either computationally burdensome or only apply to convex subsets of Euclidean space. In this paper, we introduce an alternative, simple noising scheme based on Metropolis sampling that affords substantial gains in computational efficiency and empirical performance compared to the earlier samplers. Of independent interest, we prove that this new process corresponds to a valid discretisation of the reflected Brownian motion. We demonstrate the scalability and flexibility of our approach on a range of problem settings with convex and non-convex constraints, including applications from geospatial modelling, robotics and protein design.

Deep Learning/Generative Models and Autoencoders

Chen-Hao Chao, Wei-Fang Sun, Yen-Chang Hsu, Zsolt Kira, Chun-Yi Lee

In this paper, we establish a connection between the parameterization of flow-based and energy-based generative models, and present a new flow-based modeling approach called energy-based normalizing flow (EBFlow). We demonstrate that by optimizing EBFlow with score-matching objectives, the computation of Jacobian determinants for linear transformations can be entirely bypassed. This feature enables the use of arbitrary linear layers in the construction of flow-based models without increasing the computational time complexity of each training iteration from $\mathcal{O}(D^2L)$ to $\mathcal{O}(D^3L)$ for an $L$-layered model that accepts $D$-dimensional inputs. This makes the training of EBFlow more efficient than the commonly-adopted maximum likelihood training method. In addition to the reduction in runtime, we enhance the training stability and empirical performance of EBFlow through a number of techniques developed based on our analysis of the score-matching methods. The experimental results demonstrate that our approach achieves a significant speedup compared to maximum likelihood estimation while outperforming prior methods with a noticeable margin in terms of negative log-likelihood (NLL).

Applications/Computer Vision

Di Liu, Anastasis Stathopoulos, Qilong Zhangli, Yunhe Gao, Dimitris Metaxas

Reconstructing the 3D articulated shape of an animal from a single in-the-wild image is a challenging task. We propose LEPARD, a learning-based framework that discovers semantically meaningful 3D parts and reconstructs 3D shapes in a part-based manner. This is advantageous as 3D parts are robust to pose variations due to articulations and their shape is typically simpler than the overall shape of the object. In our framework, the parts are explicitly represented as parameterized primitive surfaces with global and local deformations in 3D that deform to match the image evidence. We propose a kinematics-inspired optimization to guide each transformation of the primitive deformation given 2D evidence. Similar to recent approaches, LEPARD is only trained using off-the-shelf deep features from DINO and does not require any form of 2D or 3D annotations. Experiments on 3D animal shape reconstruction, demonstrate significant improvement over existing alternatives in terms of both the overall reconstruction performance as well as the ability to discover semantically meaningful and consistent parts.

Deep Learning/Other Representation Learning

Paul Pu Liang, Yun Cheng, Xiang Fan, Chun Kai Ling, Suzanne Nie, Richard Chen, Zihao Deng, Nicholas Allen, Randy Auerbach, Faisal Mahmood 等

The recent explosion of interest in multimodal applications has resulted in a wide selection of datasets and methods for representing and integrating information from different modalities. Despite these empirical advances, there remain fundamental research questions: How can we quantify the interactions that are necessary to solve a multimodal task? Subsequently, what are the most suitable multimodal models to capture these interactions? To answer these questions, we propose an information-theoretic approach to quantify the degree of redundancy, uniqueness, and synergy relating input modalities with an output task. We term these three measures as the PID statistics of a multimodal distribution (or PID for short), and introduce two new estimators for these PID statistics that scale to high-dimensional distributions. To validate PID estimation, we conduct extensive experiments on both synthetic datasets where the PID is known and on large-scale multimodal benchmarks where PID estimations are compared with human annotations. Finally, we demonstrate their usefulness in (1) quantifying interactions within multimodal datasets, (2) quantifying interactions captured by multimodal models, (3) principled approaches for model selection, and (4) three real-world case studies engaging with domain experts in pathology, mood prediction, and robotic perception where our framework helps to recommend strong multimodal models for each application.

Deep Learning/Self-Supervised Learning

Paul Pu Liang, Zihao Deng, Martin Q. Ma, James Zou, Louis-Philippe Morency, Ruslan Salakhutdinov

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

Reinforcement Learning/Multi-agent

Pascal Leroy, Pablo G. Morato, Jonathan Pisane, Athanasios Kolios, Damien Ernst

We introduce IMP-MARL, an open-source suite of multi-agent reinforcement learning (MARL) environments for large-scale Infrastructure Management Planning (IMP), offering a platform for benchmarking the scalability of cooperative MARL methods in real-world engineering applications.In IMP, a multi-component engineering system is subject to a risk of failure due to its components' damage condition.Specifically, each agent plans inspections and repairs for a specific system component, aiming to minimise maintenance costs while cooperating to minimise system failure risk.With IMP-MARL, we release several environments including one related to offshore wind structural systems, in an effort to meet today's needs to improve management strategies to support sustainable and reliable energy systems.Supported by IMP practical engineering environments featuring up to 100 agents, we conduct a benchmark campaign, where the scalability and performance of state-of-the-art cooperative MARL methods are compared against expert-based heuristic policies. The results reveal that centralised training with decentralised execution methods scale better with the number of agents than fully centralised or decentralised RL approaches, while also outperforming expert-based heuristic policies in most IMP environments.Based on our findings, we additionally outline remaining cooperation and scalability challenges that future MARL methods should still address.Through IMP-MARL, we encourage the implementation of new environments and the further development of MARL methods.

Applications/Language, Speech and Dialog

Beichen Zhang, Kun Zhou, Xilin Wei, Xin Zhao, Jing Sha, Shijin Wang, Ji-Rong Wen

Chain-of-thought prompting (CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models (LLMs) to perform step-by-step reasoning on complex math-related tasks.However, most existing math reasoning datasets may not be able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they often only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps, thus supporting only outcome evaluation.To address the issue, we construct **CARP**, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps, facilitating the evaluation of the intermediate reasoning process.In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to incorrect answers.Based on this finding, we propose a new approach that can facilitate the deliberation on reasoning steps with tool interfaces, namely **DELI**.In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from both tool manipulation and natural language reasoning perspectives, until solutions converge or the maximum iteration is achieved.Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods.Our data and code are available at https://github.com/RUCAIBox/CARP.

Reinforcement Learning/Batch Offline

Shengpu Tang, Jenna Wiens

In applying reinforcement learning (RL) to high-stakes domains, quantitative and qualitative evaluation using observational data can help practitioners understand the generalization performance of new policies. However, this type of off-policy evaluation (OPE) is inherently limited since offline data may not reflect the distribution shifts resulting from the application of new policies. On the other hand, online evaluation by collecting rollouts according to the new policy is often infeasible, as deploying new policies in these domains can be unsafe. In this work, we propose a semi-offline evaluation framework as an intermediate step between offline and online evaluation, where human users provide annotations of unobserved counterfactual trajectories. While tempting to simply augment existing data with such annotations, we show that this naive approach can lead to biased results. Instead, we design a new family of OPE estimators based on importance sampling (IS) and a novel weighting scheme that incorporate counterfactual annotations without introducing additional bias. We analyze the theoretical properties of our approach, showing its potential to reduce both bias and variance compared to standard IS estimators. Our analyses reveal important practical considerations for handling biased, noisy, or missing annotations. In a series of proof-of-concept experiments involving bandits and a healthcare-inspired simulator, we demonstrate that our approach outperforms purely offline IS estimators and is robust to imperfect annotations. Our framework, combined with principled human-centered design of annotation solicitation, can enable the application of RL in high-stakes domains.

Deep Learning/Robustness

Kai Hu, Andy Zou, Zifan Wang, Klas Leino, Matt Fredrikson

Despite the promise of Lipschitz-based methods for provably-robust deep learning with deterministic guarantees, current state-of-the-art results are limited to feed-forward Convolutional Networks (ConvNets) on low-dimensional data, such as CIFAR-10. This paper investigates strategies for expanding certifiably robust training to larger, deeper models.A key challenge in certifying deep networks is efficient calculation of the Lipschitz bound for residual blocks found in ResNet and ViT architectures.We show that fast ways of bounding the Lipschitz constant for conventional ResNets are loose, and show how to address this by designing a new residual block, leading to the *Linear ResNet* (LiResNet) architecture.We then introduce *Efficient Margin MAximization* (EMMA), a loss function that stabilizes robust training by penalizing worst-case adversarial examples from multiple classes simultaneously.Together, these contributions yield new *state-of-the-art* robust accuracy on CIFAR-10/100 and Tiny-ImageNet under $\ell_2$ perturbations.Moreover, for the first time, we are able to scale up fast deterministic robustness guarantees to ImageNet, demonstrating that this approach to robust learning can be applied to real-world applications.

Applications/Computer Vision

Ao Zhang, Hao Fei, Yuan Yao, Wei Ji, Li Li, Zhiyuan Liu, Tat-Seng Chua

Since developing a new multimodal LLM (MLLM) by pre-training on tremendous image-text pairs from scratch can be exceedingly resource-consuming, connecting an existing LLM with a comparatively lightweight visual prompt generator (VPG) becomes a feasible paradigm. However, further tuning the VPG component of the MLLM still incurs significant computational costs, such as thousands of GPU hours and millions of training data points. An alternative solution is transferring an existing VPG from one MLLM to the target MLLM. In this work, we investigate VPG transferability across LLMs for the first time, aiming to reduce the cost of VPG training. Specifically, we explore VPG transfer across different LLM sizes (e.g., small-to-large) and types. We identify key factors to maximize transfer efficiency, based on which we develop a simple yet highly effective two-stage transfer framework, called VPGTrans. Notably, it enables VPG transfer from BLIP-2 OPT 2.7B to BLIP-2 OPT 6.7B with less than 10% of the GPU hours using only 10.7% of the training data compared to training a VPG for OPT 6.7B from scratch. Furthermore, we provide a series of intriguing findings and discuss potential explanations behind them. Finally, we showcase the practical value of our VPGTrans approach, by customizing two novel MLLMs, including VL-LLaMA and VL-Vicuna, with recently released LLaMA and Vicuna LLMs.

Miscellaneous Aspects of Machine Learning/Representation Learning

Hugues Van Assel, Titouan Vayer, Rémi Flamary, Nicolas Courty

Many approaches in machine learning rely on a weighted graph to encode thesimilarities between samples in a dataset. Entropic affinities (EAs), which are notably used in the popular Dimensionality Reduction (DR) algorithm t-SNE, are particular instances of such graphs. To ensure robustness to heterogeneous sampling densities, EAs assign a kernel bandwidth parameter to every sample in such a way that the entropy of each row in the affinity matrix is kept constant at a specific value, whose exponential is known as perplexity. EAs are inherently asymmetric and row-wise stochastic, but they are used in DR approaches after undergoing heuristic symmetrization methods that violate both the row-wise constant entropy and stochasticity properties. In this work, we uncover a novel characterization of EA as an optimal transport problem, allowing a natural symmetrization that can be computed efficiently using dual ascent. The corresponding novel affinity matrix derives advantages from symmetric doubly stochastic normalization in terms of clustering performance, while also effectively controlling the entropy of each row thus making it particularly robust to varying noise levels. Following, we present a new DR algorithm, SNEkhorn, that leverages this new affinity matrix. We show its clear superiority to state-of-the-art approaches with several indicators on both synthetic and real-world datasets.

Reinforcement Learning/Average Cost Reward

Julien Grand-Clément, Marek Petrik

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 discount-optimal policies with a discount factor close to $1$, but they only work under strong or hard-to-verify assumptions on the MDP structure such as unichain or ergodicity. We are the first to highlight the shortcomings of the classical definition of Blackwell optimality, which does not lead to simple algorithms for computing Blackwell-optimal policies and overlooks the pathological behaviors of optimal policies as regards the discount factors. To resolve this issue, in this paper, we show that when the discount factor is larger than the Blackwell discount factor $\gamma_{\sf bw}$, all discount-optimal policies become Blackwell- and average-optimal, and we derive a general upper bound on $\gamma_{\sf bw}$. Our upper bound on $\gamma_{\sf bw}$, parametrized by the bit-size of the rewards and transition probabilities of the MDP instance, provides the first reduction from average and Blackwell optimality to discounted optimality, without any assumptions, along with new polynomial-time algorithms. Our work brings new ideas from 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.