GenAI4ELab/papercli-papers huggingface dataset:
Position: Standardization of Behavioral Use Clauses is Necessary for the Adoption of Responsible Licensing of AI
Authors: Daniel McDuff; Tim Korjakow; Scott Cambo; Jesse Josua Benjamin; Jenny Lee; Yacine Jernite; Carlos Muñoz Ferrandis; Aaron Gokaslan; Alek Tarkowski; Joseph Lindley; A. Feder Cooper; Danish Contractor
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Growing concerns over negligent or malicious uses of AI have increased the appetite for tools that help manage the risks of the technology. In 2018, licenses with behaviorial-use clauses (commonly referred to as Responsible AI Licenses) were proposed to give developers a framework for releasing AI assets while specifying their users to mitigate negative applications. As of the end of 2023, on the order of 40,000 software and model repositories have adopted responsible AI licenses licenses. Notable models licensed with behavioral use clauses include BLOOM (language) and LLaMA2 (language), Stable Diffusion (image), and GRID (robotics). This paper explores why and how these licenses have been adopted, and why and how they have been adapted to fit particular use cases. We use a mixed-methods methodology of qualitative interviews, clustering of license clauses, and quantitative analysis of license adoption. Based on this evidence we take the position that responsible AI licenses need standardization to avoid confusing users or diluting their impact. At the same time, customization of behavioral restrictions is also appropriate in some contexts (e.g., medical domains). We advocate for “standardized customization” that can meet users’ needs and can be supported via tooling.
VQDNA: Unleashing the Power of Vector Quantization for Multi-Species Genomic Sequence Modeling
Authors: Siyuan Li; Zedong Wang; Zicheng Liu; Di Wu; Cheng Tan; Jiangbin Zheng; Yufei Huang; Stan Z. Li
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Similar to natural language models, pre-trained genome language models are proposed to capture the underlying intricacies within genomes with unsupervised sequence modeling. They have become essential tools for researchers and practitioners in biology. However, the hand-crafted tokenization policies used in these models may not encode the most discriminative patterns from the limited vocabulary of genomic data. In this paper, we introduce VQDNA, a general-purpose framework that renovates genome tokenization from the perspective of genome vocabulary learning. By leveraging vector-quantized codebook as learnable vocabulary, VQDNA can adaptively tokenize genomes into pattern-aware embeddings in an end-to-end manner. To further push its limits, we propose Hierarchical Residual Quantization (HRQ), where varying scales of codebooks are designed in a hierarchy to enrich the genome vocabulary in a coarse-to-fine manner. Extensive experiments on 32 genome datasets demonstrate VQDNA's superiority and favorable parameter efficiency compared to existing genome language models. Notably, empirical analysis of SARS-CoV-2 mutations reveals the fine-grained pattern awareness and biological significance of learned HRQ vocabulary, highlighting its untapped potential for broader applications in genomics.
Best Arm Identification for Stochastic Rising Bandits
Authors: Marco Mussi; Alessandro Montenegro; Francesco Trovò; Marcello Restelli; Alberto Maria Metelli
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Stochastic Rising Bandits (SRBs) model sequential decision-making problems in which the expected reward of the available options increases every time they are selected. This setting captures a wide range of scenarios in which the available options are learning entities whose performance improves (in expectation) over time (e.g., online best model selection). While previous works addressed the regret minimization problem, this paper focuses on the fixed-budget Best Arm Identification (BAI) problem for SRBs. In this scenario, given a fixed budget of rounds, we are asked to provide a recommendation about the best option at the end of the identification process. We propose two algorithms to tackle the above-mentioned setting, namely R-UCBE, which resorts to a UCB-like approach, and R-SR, which employs a successive reject procedure. Then, we prove that, with a sufficiently large budget, they provide guarantees on the probability of properly identifying the optimal option at the end of the learning process and on the simple regret. Furthermore, we derive a lower bound on the error probability, matched by our R-SR (up to constants), and illustrate how the need for a sufficiently large budget is unavoidable in the SRB setting. Finally, we numerically validate the proposed algorithms in both synthetic and realistic environments.
Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
Authors: Zhilin Huang; Ling Yang; Xiangxin Zhou; Chujun Qin; Yijie Yu; Xiawu Zheng; Zikun Zhou; Wentao Zhang; Yu Wang; Wenming Yang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Generating ligand molecules that bind to specific protein targets via generative models holds substantial promise for advancing structure-based drug design. Existing methods generate molecules from scratch without reference or template ligands, which poses challenges in model optimization and may yield suboptimal outcomes. To address this problem, we propose an innovative interaction-based retrieval-augmented diffusion model named IRDiff to facilitate target-aware molecule generation. IRDiff leverages a curated set of ligand references, i.e., those with desired properties such as high binding affinity, to steer the diffusion model towards synthesizing ligands that satisfy design criteria. Specifically, we utilize a protein-molecule interaction network (PMINet), which is pretrained with binding affinity signals to: (i) retrieve target-aware ligand molecules with high binding affinity to serve as references, and (ii) incorporate essential protein-ligand binding structures for steering molecular diffusion generation with two effective augmentation mechanisms, i.e., retrieval augmentation and self augmentation. Empirical studies on CrossDocked2020 dataset show IRDiff can generate molecules with more realistic 3D structures and achieve state-of-the-art binding affinities towards the protein targets, while maintaining proper molecular properties. The codes and models are available at https://github.com/YangLing0818/IRDiff
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
Authors: Songtao Liu; Hanjun Dai; Yue Zhao; Peng Liu
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner. Despite their effective performance, these strategies face limitations in the molecule synthetic route generation due to a greedy selection of the next molecule set without any lookahead. Furthermore, existing strategies cannot control the generation of synthetic routes based on possible criteria such as material costs, yields, and step count. In this work, we propose a general and principled framework via conditional residual energy-based models (EBMs), that focus on the quality of the entire synthetic route based on the specific criteria. By incorporating an additional energy-based function into our probabilistic model, our proposed algorithm can enhance the quality of the most probable synthetic routes (with higher probabilities) generated by various strategies in a plug-and-play fashion. Extensive experiments demonstrate that our framework can consistently boost performance across various strategies and outperforms previous state-of-the-art top-1 accuracy by a margin of 2.5%. Code is available at https://github.com/SongtaoLiu0823/CREBM.
A Rate-Distortion View of Uncertainty Quantification
Authors: Ifigeneia Apostolopoulou; Benjamin Eysenbach; Frank Nielsen; Artur Dubrawski
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In supervised learning, understanding an input’s proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.
Policy-conditioned Environment Models are More Generalizable
Authors: Ruifeng Chen; Xiong-Hui Chen; Yihao Sun; Siyuan Xiao; Minhui Li; Yang Yu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In reinforcement learning, it is crucial to have an accurate environment dynamics model to evaluate different policies' value in downstream tasks like offline policy optimization and policy evaluation. However, the learned model is known to be inaccurate in predictions when evaluating target policies different from data-collection policies. In this work, we found that utilizing policy representation for model learning, called policy-conditioned model (PCM) learning, is useful to mitigate the problem, especially when the offline dataset is collected from diversified behavior policies. The reason beyond that is in this case, PCM becomes a meta-dynamics model that is trained to be aware of and focus on the evaluation policies that on-the-fly adjust the model to be suitable to the evaluation policies’ state-action distribution, thus improving the prediction accuracy. Based on that intuition, we propose an easy-to-implement yet effective algorithm of PCM for accurate model learning. We also give a theoretical analysis and experimental evidence to demonstrate the feasibility of reducing value gaps by adapting the dynamics model under different policies. Experiment results show that PCM outperforms the existing SOTA off-policy evaluation methods in the DOPE benchmark by a large margin, and derives significantly better policies in offline policy selection and model predictive control compared with the standard model learning method.
Deep Demonstration Tracing: Learning Generalizable Imitator Policy for Runtime Imitation from a Single Demonstration
Authors: Xiong-Hui Chen; Junyin Ye; Hang Zhao; Yi-Chen Li; Xu-Hui Liu; Haoran Shi; Yu-Yan Xu; Zhihao Ye; Si-Hang Yang; Yang Yu; Anqi Huang; Kai Xu; Zongzhang Zhang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: One-shot imitation learning (OSIL) is to learn an imitator agent that can execute multiple tasks with only a single demonstration. In real-world scenario, the environment is dynamic, e.g., unexpected changes can occur after demonstration. Thus, achieving generalization of the imitator agent is crucial as agents would inevitably face situations unseen in the provided demonstrations. While traditional OSIL methods excel in relatively stationary settings, their adaptability to such unforeseen changes, which asking for a higher level of generalization ability for the imitator agents, is limited and rarely discussed. In this work, we present a new algorithm called Deep Demonstration Tracing (DDT). In DDT, we propose a demonstration transformer architecture to encourage agents to adaptively trace suitable states in demonstrations. Besides, it integrates OSIL into a meta-reinforcement-learning training paradigm, providing regularization for policies in unexpected situations. We evaluate DDT on a new navigation task suite and robotics tasks, demonstrating its superior performance over existing OSIL methods across all evaluated tasks in dynamic environments with unforeseen changes. The project page is in https://osil-ddt.github.io.
Hybrid Neural Representations for Spherical Data
Authors: Hyomin Kim; Yunhui Jang; Jaeho Lee; Sungsoo Ahn
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this paper, we study hybrid neural representations for spherical data, a domain of increasing relevance in scientific research. In particular, our work focuses on weather and climate data as well as cosmic microwave background (CMB) data. Although previous studies have delved into coordinate-based neural representations for spherical signals, they often fail to capture the intricate details of highly nonlinear signals. To address this limitation, we introduce a novel approach named Hybrid Neural Representations for Spherical data (HNeR-S). Our main idea is to use spherical feature-grids to obtain positional features which are combined with a multi-layer perceptron to predict the target signal. We consider feature-grids with equirectangular and hierarchical equal area isolatitude pixelization structures that align with weather data and CMB data, respectively. We extensively verify the effectiveness of our HNeR-S for regression, super-resolution, temporal interpolation, and compression tasks.
Neural Image Compression with Text-guided Encoding for both Pixel-level and Perceptual Fidelity
Authors: Hagyeong Lee; Minkyu Kim; Jun-Hyuk Kim; Seungeon Kim; Dokwan Oh; Jaeho Lee
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Recent advances in text-guided image compression have shown great potential to enhance the perceptual quality of reconstructed images. These methods, however, tend to have significantly degraded pixel-wise fidelity, limiting their practicality. To fill this gap, we develop a new text-guided image compression algorithm that achieves both high perceptual and pixel-wise fidelity. In particular, we propose a compression framework that leverages text information mainly by text-adaptive encoding and training with joint image-text loss. By doing so, we avoid decoding based on text-guided generative models---known for high generative diversity---and effectively utilize the semantic information of text at a global level. Experimental results on various datasets show that our method can achieve high pixel-level and perceptual quality, with either human- or machine-generated captions. In particular, our method outperforms all baselines in terms of LPIPS, with some room for even more improvements when we use more carefully generated captions.
Accurate LoRA-Finetuning Quantization of LLMs via Information Retention
Authors: Haotong Qin; Xudong Ma; Xingyu Zheng; Xiaoyang Li; Yang Zhang; Shouda Liu; Jie Luo; Xianglong Liu; Michele Magno
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: The LoRA-finetuning quantization of LLMs has been extensively studied to obtain accurate yet compact LLMs for deployment on resource-constrained hardware. However, existing methods cause the quantized LLM to severely degrade and even fail to benefit from the finetuning of LoRA. This paper proposes a novel IR-QLoRA for pushing quantized LLMs with LoRA to be highly accurate through information retention. The proposed IR-QLoRA mainly relies on two technologies derived from the perspective of unified information: (1) statistics-based Information Calibration Quantization allows the quantized parameters of LLM to retain original information accurately; (2) finetuning-based Information Elastic Connection makes LoRA utilizes elastic representation transformation with diverse information. Comprehensive experiments show that IR-QLoRA can significantly improve accuracy across LLaMA and LLaMA2 families under 2-4 bit-widths, e.g., 4-bit LLaMA-7B achieves 1.4% improvement on MMLU compared with the state-of-the-art methods. The significant performance gain requires only a tiny 0.31% additional time consumption, revealing the satisfactory efficiency of our IR-QLoRA. We highlight that IR-QLoRA enjoys excellent versatility, compatible with various frameworks (e.g., NormalFloat and Integer quantization) and brings general accuracy gains. The code is available at https://github.com/htqin/ir-qlora .
Self-Attention through Kernel-Eigen Pair Sparse Variational Gaussian Processes
Authors: Yingyi Chen; Qinghua Tao; Francesco Tonin; Johan Suykens
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: While the great capability of Transformers significantly boosts prediction accuracy, it could also yield overconfident predictions and require calibrated uncertainty estimation, which can be commonly tackled by Gaussian processes (GPs). Existing works apply GPs with symmetric kernels under variational inference to the attention kernel; however, omitting the fact that attention kernels are in essence asymmetric. Moreover, the complexity of deriving the GP posteriors remains high for large-scale data. In this work, we propose Kernel-Eigen Pair Sparse Variational Gaussian Processes (KEP-SVGP) for building uncertainty-aware self-attention where the asymmetry of attention kernels is tackled by Kernel SVD (KSVD) and a reduced complexity is acquired. Through KEP-SVGP, i) the SVGP pair induced by the two sets of singular vectors from KSVD w.r.t. the attention kernel fully characterizes the asymmetry; ii) using only a small set of adjoint eigenfunctions from KSVD, the derivation of SVGP posteriors can be based on the inversion of a diagonal matrix containing singular values, contributing to a reduction in time complexity; iii) an evidence lower bound is derived so that variational parameters and network weights can be optimized with it. Experiments verify our excellent performances and efficiency on in-distribution, distribution-shift and out-of-distribution benchmarks.
Memoria: Resolving Fateful Forgetting Problem through Human-Inspired Memory Architecture
Authors: Sangjun Park; JinYeong Bak
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Making neural networks remember over the long term has been a longstanding issue. Although several external memory techniques have been introduced, most focus on retaining recent information in the short term. Regardless of its importance, information tends to be fatefully forgotten over time. We present Memoria, a memory system for artificial neural networks, drawing inspiration from humans and applying various neuroscientific and psychological theories. The experimental results prove the effectiveness of Memoria in the diverse tasks of sorting, language modeling, and classification, surpassing conventional techniques. Engram analysis reveals that Memoria exhibits the primacy, recency, and temporal contiguity effects which are characteristics of human memory.
Improving Context Understanding in Multimodal Large Language Models via Multimodal Composition Learning
Authors: Wei Li; Hehe Fan; Yongkang Wong; Yi Yang; Mohan Kankanhalli
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Previous efforts using frozen Large Language Models (LLMs) for visual understanding, via image captioning or image-text retrieval tasks, face challenges when dealing with complex multimodal scenarios. In order to enhance the capabilities of Multimodal Large Language Models (MLLM) in comprehending the context of vision and language, we introduce Multimodal Composition Learning (MCL) for the purpose of mapping or aligning the vision and language input. In particular, we introduce two tasks: Multimodal-Context Captioning (MC-Cap) and Multimodal-Context Retrieval (MC-Ret) to guide a frozen LLM in comprehending the vision and language context. These specialized tasks are crafted to improve the LLM’s capacity for efficient processing and utilization of multimodal inputs, thereby enhancing its proficiency in generating more accurate text or visual representations. Extensive experiments on both retrieval tasks (i.e., zero-shot composed image retrieval, visual storytelling image retrieval and visual dialog image retrieval) and text generation tasks (i.e., visual question answering) demonstrate the effectiveness of the proposed method. The code is available at: https://github.com/dhg-wei/MCL.
High-dimensional Linear Bandits with Knapsacks
Authors: Wanteng Ma; Dong Xia; Jiashuo Jiang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We study the contextual bandits with knapsack (CBwK) problem under the high-dimensional setting where the dimension of the feature is large. We investigate how to exploit the sparsity structure to achieve improved regret for the CBwK problem. To this end, we first develop an online variant of the hard thresholding algorithm that performs the optimal sparse estimation. We further combine our online estimator with a primal-dual framework, where we assign a dual variable to each knapsack constraint and utilize an online learning algorithm to update the dual variable, thereby controlling the consumption of the knapsack capacity. We show that this integrated approach allows us to achieve a sublinear regret that depends logarithmically on the feature dimension, thus improving the polynomial dependency established in the previous literature. We also apply our framework to the high-dimension contextual bandit problem without the knapsack constraint and achieve optimal regret in both the data-poor regime and the data-rich regime.
DiJiang: Efficient Large Language Models through Compact Kernelization
Authors: Hanting Chen; Liuzhicheng; Xutao Wang; Yuchuan Tian; Yunhe Wang
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: In an effort to reduce the computational load of Transformers, research on linear attention has gained significant momentum. However, the improvement strategies for attention mechanisms typically necessitate extensive retraining, which is impractical for large language models with a vast array of parameters. In this paper, we present DiJiang, a novel Frequency Domain Kernelization approach that enables the transformation of a pre-trained vanilla Transformer into a linear complexity model with little training costs. By employing a weighted Quasi-Monte Carlo method for sampling, the proposed approach theoretically offers superior approximation efficiency. To further reduce the training computational complexity, our kernelization is based on Discrete Cosine Transform (DCT) operations. Extensive experiments demonstrate that the proposed method achieves comparable performance to the original Transformer, but with significantly reduced training costs and much faster inference speeds. Our DiJiang-7B achieves comparable performance with LLaMA2-7B on various benchmark while requires only about 1/50 training cost. Code is available at https://github.com/YuchuanTian/DiJiang.
Recovering the Pre-Fine-Tuning Weights of Generative Models
Authors: Eliahu Horwitz; Jonathan Kahana; Yedid Hoshen
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The dominant paradigm in generative modeling consists of two steps: i) pre-training on a large-scale but unsafe dataset, ii) aligning the pre-trained model with human values via fine-tuning. This practice is considered safe, as no current method can recover the unsafe, *pre-fine-tuning* model weights. In this paper, we demonstrate that this assumption is often false. Concretely, we present *Spectral DeTuning*, a method that can recover the weights of the pre-fine-tuning model using a few low-rank (LoRA) fine-tuned models. In contrast to previous attacks that attempt to recover pre-fine-tuning capabilities, our method aims to recover the exact pre-fine-tuning weights. Our approach exploits this new vulnerability against large-scale models such as a personalized Stable Diffusion and an aligned Mistral. The code is available at https://vision.huji.ac.il/spectral_detuning/.