National Institute of Informatics, Japan
Abstract:The distinct characteristics of multiomics data, including complex interactions within and across biological layers and disease heterogeneity (e.g., heterogeneity in etiology and clinical symptoms), drive us to develop novel designs to address unique challenges in multiomics prediction. In this paper, we propose the multi-view knowledge transfer learning (MVKTrans) framework, which transfers intra- and inter-omics knowledge in an adaptive manner by reviewing data heterogeneity and suppressing bias transfer, thereby enhancing classification performance. Specifically, we design a graph contrastive module that is trained on unlabeled data to effectively learn and transfer the underlying intra-omics patterns to the supervised task. This unsupervised pretraining promotes learning general and unbiased representations for each modality, regardless of the downstream tasks. In light of the varying discriminative capacities of modalities across different diseases and/or samples, we introduce an adaptive and bi-directional cross-omics distillation module. This module automatically identifies richer modalities and facilitates dynamic knowledge transfer from more informative to less informative omics, thereby enabling a more robust and generalized integration. Extensive experiments on four real biomedical datasets demonstrate the superior performance and robustness of MVKTrans compared to the state-of-the-art. Code and data are available at https://github.com/Yaolab-fantastic/MVKTrans.
Abstract:Large language models (LLMs) have shown amazing performance on tasks that require planning and reasoning. Motivated by this, we investigate the internal mechanisms that underpin a network's ability to perform complex logical reasoning. We first construct a synthetic propositional logic problem that serves as a concrete test-bed for network training and evaluation. Crucially, this problem demands nontrivial planning to solve, but we can train a small transformer to achieve perfect accuracy. Building on our set-up, we then pursue an understanding of precisely how a three-layer transformer, trained from scratch, solves this problem. We are able to identify certain "planning" and "reasoning" circuits in the network that necessitate cooperation between the attention blocks to implement the desired logic. To expand our findings, we then study a larger model, Mistral 7B. Using activation patching, we characterize internal components that are critical in solving our logic problem. Overall, our work systemically uncovers novel aspects of small and large transformers, and continues the study of how they plan and reason.
Abstract:Retrieval-Augmented Generation (RAG) has emerged as a reliable external knowledge augmentation technique to mitigate hallucination issues and parameterized knowledge limitations in Large Language Models (LLMs). Existing Adaptive RAG (ARAG) systems struggle to effectively explore multiple retrieval sources due to their inability to select the right source at the right time. To address this, we propose a multi-source ARAG framework, termed MSPR, which synergizes reasoning and preference-driven retrieval to adaptive decide "when and what to retrieve" and "which retrieval source to use". To better adapt to retrieval sources of differing characteristics, we also employ retrieval action adjustment and answer feedback strategy. They enable our framework to fully explore the high-quality primary source while supplementing it with secondary sources at the right time. Extensive and multi-dimensional experiments conducted on three datasets demonstrate the superiority and effectiveness of MSPR.
Abstract:Pharmaceutical patents play a vital role in biochemical industries, especially in drug discovery, providing researchers with unique early access to data, experimental results, and research insights. With the advancement of machine learning, patent analysis has evolved from manual labor to tasks assisted by automatic tools. However, there still lacks an unified agent that assists every aspect of patent analysis, from patent reading to core chemical identification. Leveraging the capabilities of Large Language Models (LLMs) to understand requests and follow instructions, we introduce the $\textbf{first}$ intelligent agent in this domain, $\texttt{PatentAgent}$, poised to advance and potentially revolutionize the landscape of pharmaceutical research. $\texttt{PatentAgent}$ comprises three key end-to-end modules -- $\textit{PA-QA}$, $\textit{PA-Img2Mol}$, and $\textit{PA-CoreId}$ -- that respectively perform (1) patent question-answering, (2) image-to-molecular-structure conversion, and (3) core chemical structure identification, addressing the essential needs of scientists and practitioners in pharmaceutical patent analysis. Each module of $\texttt{PatentAgent}$ demonstrates significant effectiveness with the updated algorithm and the synergistic design of $\texttt{PatentAgent}$ framework. $\textit{PA-Img2Mol}$ outperforms existing methods across CLEF, JPO, UOB, and USPTO patent benchmarks with an accuracy gain between 2.46% and 8.37% while $\textit{PA-CoreId}$ realizes accuracy improvement ranging from 7.15% to 7.62% on PatentNetML benchmark. Our code and dataset will be publicly available.
Abstract:Large language models of high parameter counts are computationally expensive, yet can be made much more efficient by compressing their weights to very low numerical precision. This can be achieved either through post-training quantization by minimizing local, layer-wise quantization errors, or through quantization-aware fine-tuning by minimizing the global loss function. In this study, we discovered that, under the same data constraint, the former approach nearly always fared worse than the latter, a phenomenon particularly prominent when the numerical precision is very low. We further showed that this difficulty of post-training quantization arose from stark misalignment between optimization of the local and global objective functions. Our findings explains limited utility in minimization of local quantization error and the importance of direct quantization-aware fine-tuning, in the regime of large models at very low precision.
Abstract:Generalization abilities of well-trained large language models (LLMs) are known to scale predictably as a function of model size. In contrast to the existence of practical scaling laws governing pre-training, the quality of LLMs after post-training compression remains highly unpredictable, often requiring case-by-case validation in practice. In this work, we attempted to close this gap for post-training weight quantization of LLMs by conducting a systematic empirical study on multiple LLM families quantized to numerous low-precision tensor data types using popular weight quantization techniques. We identified key scaling factors pertaining to characteristics of the local loss landscape, based on which the performance of quantized LLMs can be reasonably well predicted by a statistical model.
Abstract:Existing Video Corpus Moment Retrieval (VCMR) is limited to coarse-grained understanding, which hinders precise video moment localization when given fine-grained queries. In this paper, we propose a more challenging fine-grained VCMR benchmark requiring methods to localize the best-matched moment from the corpus with other partially matched candidates. To improve the dataset construction efficiency and guarantee high-quality data annotations, we propose VERIFIED, an automatic \underline{V}id\underline{E}o-text annotation pipeline to generate captions with \underline{R}el\underline{I}able \underline{FI}n\underline{E}-grained statics and \underline{D}ynamics. Specifically, we resort to large language models (LLM) and large multimodal models (LMM) with our proposed Statics and Dynamics Enhanced Captioning modules to generate diverse fine-grained captions for each video. To filter out the inaccurate annotations caused by the LLM hallucination, we propose a Fine-Granularity Aware Noise Evaluator where we fine-tune a video foundation model with disturbed hard-negatives augmented contrastive and matching losses. With VERIFIED, we construct a more challenging fine-grained VCMR benchmark containing Charades-FIG, DiDeMo-FIG, and ActivityNet-FIG which demonstrate a high level of annotation quality. We evaluate several state-of-the-art VCMR models on the proposed dataset, revealing that there is still significant scope for fine-grained video understanding in VCMR. Code and Datasets are in \href{https://github.com/hlchen23/VERIFIED}{https://github.com/hlchen23/VERIFIED}.
Abstract:We introduce Facial Expression Category Discovery (FECD), a novel task in the domain of open-world facial expression recognition (O-FER). While Generalized Category Discovery (GCD) has been explored in natural image datasets, applying it to facial expressions presents unique challenges. Specifically, we identify two key biases to better understand these challenges: Theoretical Bias-arising from the introduction of new categories in unlabeled training data, and Practical Bias-stemming from the imbalanced and fine-grained nature of facial expression data. To address these challenges, we propose FER-GCD, an adversarial approach that integrates both implicit and explicit debiasing components. In the implicit debiasing process, we devise F-discrepancy, a novel metric used to estimate the upper bound of Theoretical Bias, helping the model minimize this upper bound through adversarial training. The explicit debiasing process further optimizes the feature generator and classifier to reduce Practical Bias. Extensive experiments on GCD-based FER datasets demonstrate that our FER-GCD framework significantly improves accuracy on both old and new categories, achieving an average improvement of 9.8% over the baseline and outperforming state-of-the-art methods.
Abstract:During pre-training, the Text-to-Image (T2I) diffusion models encode factual knowledge into their parameters. These parameterized facts enable realistic image generation, but they may become obsolete over time, thereby misrepresenting the current state of the world. Knowledge editing techniques aim to update model knowledge in a targeted way. However, facing the dual challenges posed by inadequate editing datasets and unreliable evaluation criterion, the development of T2I knowledge editing encounter difficulties in effectively generalizing injected knowledge. In this work, we design a T2I knowledge editing framework by comprehensively spanning on three phases: First, we curate a dataset \textbf{CAKE}, comprising paraphrase and multi-object test, to enable more fine-grained assessment on knowledge generalization. Second, we propose a novel criterion, \textbf{adaptive CLIP threshold}, to effectively filter out false successful images under the current criterion and achieve reliable editing evaluation. Finally, we introduce \textbf{MPE}, a simple but effective approach for T2I knowledge editing. Instead of tuning parameters, MPE precisely recognizes and edits the outdated part of the conditioning text-prompt to accommodate the up-to-date knowledge. A straightforward implementation of MPE (Based on in-context learning) exhibits better overall performance than previous model editors. We hope these efforts can further promote faithful evaluation of T2I knowledge editing methods.
Abstract:UAV-based biodiversity conservation applications have exhibited many data acquisition advantages for researchers. UAV platforms with embedded data processing hardware can support conservation challenges through 3D habitat mapping, surveillance and monitoring solutions. High-quality real-time scene reconstruction as well as real-time UAV localization can optimize the exploration vs exploitation balance of single or collaborative mission. In this work, we explore the potential of two collaborative frameworks - Visual Simultaneous Localization and Mapping (V-SLAM) and Structure-from-Motion (SfM) for 3D mapping purposes and compare results with standard offline approaches.