Sample-Efficient Human Evaluation of Large Language Models via Maximum Discrepancy Competition

The past years have witnessed a proliferation of large language models (LLMs). Yet, automated and unbiased evaluation of LLMs is challenging due to the inaccuracy of standard metrics in reflecting human preferences and the inefficiency in sampling informative and diverse test examples. While human evaluation remains the gold standard, it is expensive and time-consuming, especially when dealing with a large number of testing samples. To address this problem, we propose a sample-efficient human evaluation method based on MAximum Discrepancy (MAD) competition. MAD automatically selects a small set of informative and diverse instructions, each adapted to two LLMs, whose responses are subject to three-alternative forced choice by human subjects. The pairwise comparison results are then aggregated into a global ranking using the Elo rating system. We select eight representative LLMs and compare them in terms of four skills: knowledge understanding, mathematical reasoning, writing, and coding. Experimental results show that the proposed method achieves a reliable and sensible ranking of LLMs' capabilities, identifies their relative strengths and weaknesses, and offers valuable insights for further LLM advancement.

Deep Shape-Texture Statistics for Completely Blind Image Quality Evaluation

Opinion-Unaware Blind Image Quality Assessment (OU-BIQA) models aim to predict image quality without training on reference images and subjective quality scores. Thereinto, image statistical comparison is a classic paradigm, while the performance is limited by the representation ability of visual descriptors. Deep features as visual descriptors have advanced IQA in recent research, but they are discovered to be highly texture-biased and lack of shape-bias. On this basis, we find out that image shape and texture cues respond differently towards distortions, and the absence of either one results in an incomplete image representation. Therefore, to formulate a well-round statistical description for images, we utilize the shapebiased and texture-biased deep features produced by Deep Neural Networks (DNNs) simultaneously. More specifically, we design a Shape-Texture Adaptive Fusion (STAF) module to merge shape and texture information, based on which we formulate qualityrelevant image statistics. The perceptual quality is quantified by the variant Mahalanobis Distance between the inner and outer Shape-Texture Statistics (DSTS), wherein the inner and outer statistics respectively describe the quality fingerprints of the distorted image and natural images. The proposed DSTS delicately utilizes shape-texture statistical relations between different data scales in the deep domain, and achieves state-of-the-art (SOTA) quality prediction performance on images with artificial and authentic distortions.

Learning Invariant Molecular Representation in Latent Discrete Space

Molecular representation learning lays the foundation for drug discovery. However, existing methods suffer from poor out-of-distribution (OOD) generalization, particularly when data for training and testing originate from different environments. To address this issue, we propose a new framework for learning molecular representations that exhibit invariance and robustness against distribution shifts. Specifically, we propose a strategy called ``first-encoding-then-separation'' to identify invariant molecule features in the latent space, which deviates from conventional practices. Prior to the separation step, we introduce a residual vector quantization module that mitigates the over-fitting to training data distributions while preserving the expressivity of encoders. Furthermore, we design a task-agnostic self-supervised learning objective to encourage precise invariance identification, which enables our method widely applicable to a variety of tasks, such as regression and multi-label classification. Extensive experiments on 18 real-world molecular datasets demonstrate that our model achieves stronger generalization against state-of-the-art baselines in the presence of various distribution shifts. Our code is available at https://github.com/HICAI-ZJU/iMoLD.

InstructProtein: Aligning Human and Protein Language via Knowledge Instruction

Large Language Models (LLMs) have revolutionized the field of natural language processing, but they fall short in comprehending biological sequences such as proteins. To address this challenge, we propose InstructProtein, an innovative LLM that possesses bidirectional generation capabilities in both human and protein languages: (i) taking a protein sequence as input to predict its textual function description and (ii) using natural language to prompt protein sequence generation. To achieve this, we first pre-train an LLM on both protein and natural language corpora, enabling it to comprehend individual languages. Then supervised instruction tuning is employed to facilitate the alignment of these two distinct languages. Herein, we introduce a knowledge graph-based instruction generation framework to construct a high-quality instruction dataset, addressing annotation imbalance and instruction deficits in existing protein-text corpus. In particular, the instructions inherit the structural relations between proteins and function annotations in knowledge graphs, which empowers our model to engage in the causal modeling of protein functions, akin to the chain-of-thought processes in natural languages. Extensive experiments on bidirectional protein-text generation tasks show that InstructProtein outperforms state-of-the-art LLMs by large margins. Moreover, InstructProtein serves as a pioneering step towards text-based protein function prediction and sequence design, effectively bridging the gap between protein and human language understanding.

Graph Sampling-based Meta-Learning for Molecular Property Prediction

Molecular property is usually observed with a limited number of samples, and researchers have considered property prediction as a few-shot problem. One important fact that has been ignored by prior works is that each molecule can be recorded with several different properties simultaneously. To effectively utilize many-to-many correlations of molecules and properties, we propose a Graph Sampling-based Meta-learning (GS-Meta) framework for few-shot molecular property prediction. First, we construct a Molecule-Property relation Graph (MPG): molecule and properties are nodes, while property labels decide edges. Then, to utilize the topological information of MPG, we reformulate an episode in meta-learning as a subgraph of the MPG, containing a target property node, molecule nodes, and auxiliary property nodes. Third, as episodes in the form of subgraphs are no longer independent of each other, we propose to schedule the subgraph sampling process with a contrastive loss function, which considers the consistency and discrimination of subgraphs. Extensive experiments on 5 commonly-used benchmarks show GS-Meta consistently outperforms state-of-the-art methods by 5.71%-6.93% in ROC-AUC and verify the effectiveness of each proposed module. Our code is available at https://github.com/HICAI-ZJU/GS-Meta.

Locally Adaptive Structure and Texture Similarity for Image Quality Assessment

The latest advances in full-reference image quality assessment (IQA) involve unifying structure and texture similarity based on deep representations. The resulting Deep Image Structure and Texture Similarity (DISTS) metric, however, makes rather global quality measurements, ignoring the fact that natural photographic images are locally structured and textured across space and scale. In this paper, we describe a locally adaptive structure and texture similarity index for full-reference IQA, which we term A-DISTS. Specifically, we rely on a single statistical feature, namely the dispersion index, to localize texture regions at different scales. The estimated probability (of one patch being texture) is in turn used to adaptively pool local structure and texture measurements. The resulting A-DISTS is adapted to local image content, and is free of expensive human perceptual scores for supervised training. We demonstrate the advantages of A-DISTS in terms of correlation with human data on ten IQA databases and optimization of single image super-resolution methods.

Comparison of Image Quality Models for Optimization of Image Processing Systems

The performance of objective image quality assessment (IQA) models has been evaluated primarily by comparing model predictions to human judgments. Perceptual datasets (e.g., LIVE and TID2013) gathered for this purpose provide useful benchmarks for improving IQA methods, but their heavy use creates a risk of overfitting. Here, we perform a large-scale comparison of perceptual IQA models in terms of their use as objectives for the optimization of image processing algorithms. Specifically, we evaluate eleven full-reference IQA models by using them as objective functions to train deep neural networks for four low-level vision tasks: denoising, deblurring, super-resolution, and compression. Extensive subjective testing on the optimized images allows us to rank the competing models in terms of their perceptual performance, elucidate their relative advantages and disadvantages for these tasks, and propose a set of desirable properties for incorporation into future IQA models. The implementations are available at https://github.com/dingkeyan93/IQA-optimization.

Image Quality Assessment: Unifying Structure and Texture Similarity

Objective measures of image quality generally operate by making local comparisons of pixels of a "degraded" image to those of the original. Relative to human observers, these measures are overly sensitive to resampling of texture regions (e.g., replacing one patch of grass with another). Here we develop the first full-reference image quality model with explicit tolerance to texture resampling. Using a convolutional neural network, we construct an injective and differentiable function that transforms images to a multi-scale overcomplete representation. We empirically show that the spatial averages of the feature maps in this representation capture texture appearance, in that they provide a set of sufficient statistical constraints to synthesize a wide variety of texture patterns. We then describe an image quality method that combines correlation of these spatial averages ("texture similarity") with correlation of the feature maps ("structure similarity"). The parameters of the proposed measure are jointly optimized to match human ratings of image quality, while minimizing the reported distances between subimages cropped from the same texture images. Experiments show that the optimized method explains human perceptual scores, both on conventional image quality databases, as well as on texture databases. The measure also offers competitive performance on related tasks such as texture classification and retrieval. Finally, we show that our method is relatively insensitive to geometric transformations (e.g., translation and dilation), without use of any specialized training or data augmentation. Code is available at https://github.com/dingkeyan93/DISTS.

Intrinsic Image Popularity Assessment

The goal of research in automatic image popularity assessment (IPA) is to develop computational models that can accurately predict the potential of a social image to go viral on the Internet. Here, we aim to single out the contribution of visual content to image popularity, i.e., intrinsic image popularity. Specifically, we first describe a probabilistic method to generate massive popularity-discriminable image pairs, based on which the first large-scale image database for intrinsic IPA (I$^2$PA) is established. We then develop computational models for I$^2$PA based on deep neural networks, optimizing for ranking consistency with millions of popularity-discriminable image pairs. Experiments on Instagram and other social platforms demonstrate that the optimized model performs favorably against existing methods, exhibits reasonable generalizability on different databases, and even surpasses human-level performance on Instagram. In addition, we conduct a psychophysical experiment to analyze various aspects of human behavior in I$^2$PA.