Zhi‐Hong Deng

Shibo Jie, Yehui Tang, Jianyuan Guo et al. · pku

Token compression expedites the training and inference of Vision Transformers (ViTs) by reducing the number of the redundant tokens, e.g., pruning inattentive tokens or merging similar tokens. However, when applied to downstream tasks, these approaches suffer from significant performance drop when the compression degrees are mismatched between training and inference stages, which limits the application of token compression on off-the-shelf trained models. In this paper, we propose a model arithmetic framework to decouple the compression degrees between the two stages. In advance, we additionally perform a fast parameter-efficient self-distillation stage on the pre-trained models to obtain a small plugin, called Token Compensator (ToCom), which describes the gap between models across different compression degrees. During inference, ToCom can be directly inserted into any downstream off-the-shelf models with any mismatched training and inference compression degrees to acquire universal performance improvements without further training. Experiments on over 20 downstream tasks demonstrate the effectiveness of our framework. On CIFAR100, fine-grained visual classification, and VTAB-1k, ToCom can yield up to a maximum improvement of 2.3%, 1.5%, and 2.0% in the average performance of DeiT-B, respectively. Code: https://github.com/JieShibo/ToCom

Zhihong Deng, Jing Jiang, Guodong Long et al. · pku

Reinforcement learning is an essential paradigm for solving sequential decision problems under uncertainty. Despite many remarkable achievements in recent decades, applying reinforcement learning methods in the real world remains challenging. One of the main obstacles is that reinforcement learning agents lack a fundamental understanding of the world and must therefore learn from scratch through numerous trial-and-error interactions. They may also face challenges in providing explanations for their decisions and generalizing the acquired knowledge. Causality, however, offers a notable advantage as it can formalize knowledge in a systematic manner and leverage invariance for effective knowledge transfer. This has led to the emergence of causal reinforcement learning, a subfield of reinforcement learning that seeks to enhance existing algorithms by incorporating causal relationships into the learning process. In this survey, we comprehensively review the literature on causal reinforcement learning. We first introduce the basic concepts of causality and reinforcement learning, and then explain how causality can address core challenges in non-causal reinforcement learning. We categorize and systematically review existing causal reinforcement learning approaches based on their target problems and methodologies. Finally, we outline open issues and future directions in this emerging field.

Yuran Xiang, Haiteng Zhao, Chang Ma et al.

Recent advancements in computational chemistry have increasingly focused on synthesizing molecules based on textual instructions. Integrating graph generation with these instructions is complex, leading most current methods to use molecular sequences with pre-trained large language models. In response to this challenge, we propose a novel framework, named $\textbf{UTGDiff (Unified Text-Graph Diffusion Model)}$, which utilizes language models for discrete graph diffusion to generate molecular graphs from instructions. UTGDiff features a unified text-graph transformer as the denoising network, derived from pre-trained language models and minimally modified to process graph data through attention bias. Our experimental results demonstrate that UTGDiff consistently outperforms sequence-based baselines in tasks involving instruction-based molecule generation and editing, achieving superior performance with fewer parameters given an equivalent level of pretraining corpus. Our code is availble at https://github.com/ran1812/UTGDiff.

Zhihong Deng, Jing Jiang, Guodong Long et al.

In sequential decision-making problems involving sensitive attributes like race and gender, reinforcement learning (RL) agents must carefully consider long-term fairness while maximizing returns. Recent works have proposed many different types of fairness notions, but how unfairness arises in RL problems remains unclear. In this paper, we address this gap in the literature by investigating the sources of inequality through a causal lens. We first analyse the causal relationships governing the data generation process and decompose the effect of sensitive attributes on long-term well-being into distinct components. We then introduce a novel notion called dynamics fairness, which explicitly captures the inequality stemming from environmental dynamics, distinguishing it from those induced by decision-making or inherited from the past. This notion requires evaluating the expected changes in the next state and the reward induced by changing the value of the sensitive attribute while holding everything else constant. To quantitatively evaluate this counterfactual concept, we derive identification formulas that allow us to obtain reliable estimations from data. Extensive experiments demonstrate the effectiveness of the proposed techniques in explaining, detecting, and reducing inequality in reinforcement learning. We publicly release code at https://github.com/familyld/InsightFair.

Shibo Jie, Yehui Tang, Kai Han et al. · pku

Transformer-based large language models (LLMs) have already achieved remarkable results on long-text tasks, but the limited GPU memory (VRAM) resources struggle to accommodate the linearly growing demand for key-value (KV) cache as the sequence length increases, which has become a bottleneck for the application of LLMs on long sequences. Existing KV cache compression methods include eviction, merging, or quantization of the KV cache to reduce its size. However, compression results in irreversible information forgetting, potentially affecting the accuracy of subsequent decoding. In this paper, we propose SpeCache, which takes full advantage of the large and easily expandable CPU memory to offload the complete KV cache, and dynamically fetches KV pairs back in each decoding step based on their importance measured by low-bit KV cache copy in VRAM. To avoid inference latency caused by CPU-GPU communication, SpeCache speculatively predicts the KV pairs that the next token might attend to, allowing us to prefetch them before the next decoding step which enables parallelization of prefetching and computation. Experiments on LongBench and Needle-in-a-Haystack benchmarks verify that SpeCache effectively reduces VRAM usage while avoiding information forgetting for long sequences without re-training, even with a 10x high KV cache compression ratio.

Ziheng Li, Zhi-Hong Deng

Although the LLM-based in-context learning (ICL) paradigm has demonstrated considerable success across various natural language processing tasks, it encounters challenges in event detection. This is because LLMs lack an accurate understanding of event triggers and tend to make over-interpretation, which cannot be effectively corrected through in-context examples alone. In this paper, we focus on the most challenging one-shot setting and propose KeyCP++, a keyword-centric chain-of-thought prompting approach. KeyCP++ addresses the weaknesses of conventional ICL by automatically annotating the logical gaps between input text and detection results for the demonstrations. Specifically, to generate in-depth and meaningful rationale, KeyCP++ constructs a trigger discrimination prompting template. It incorporates the exemplary triggers (a.k.a keywords) into the prompt as the anchor to simply trigger profiling, let LLM propose candidate triggers, and justify each candidate. These propose-and-judge rationales help LLMs mitigate over-reliance on the keywords and promote detection rule learning. Extensive experiments demonstrate the effectiveness of our approach, showcasing significant advancements in one-shot event detection.

Haiteng Zhao, Shengchao Liu, Chang Ma et al.

Molecule property prediction has gained significant attention in recent years. The main bottleneck is the label insufficiency caused by expensive lab experiments. In order to alleviate this issue and to better leverage textual knowledge for tasks, this study investigates the feasibility of employing natural language instructions to accomplish molecule-related tasks in a zero-shot setting. We discover that existing molecule-text models perform poorly in this setting due to inadequate treatment of instructions and limited capacity for graphs. To overcome these issues, we propose GIMLET, which unifies language models for both graph and text data. By adopting generalized position embedding, our model is extended to encode both graph structures and instruction text without additional graph encoding modules. GIMLET also decouples encoding of the graph from tasks instructions in the attention mechanism, enhancing the generalization of graph features across novel tasks. We construct a dataset consisting of more than two thousand molecule tasks with corresponding instructions derived from task descriptions. We pretrain GIMLET on the molecule tasks along with instructions, enabling the model to transfer effectively to a broad range of tasks. Experimental results demonstrate that GIMLET significantly outperforms molecule-text baselines in instruction-based zero-shot learning, even achieving closed results to supervised GNN models on tasks such as toxcast and muv.

Zhihong Deng, Zuyue Fu, Lingxiao Wang et al.

Offline reinforcement learning (RL) harnesses the power of massive datasets for resolving sequential decision problems. Most existing papers only discuss defending against out-of-distribution (OOD) actions while we investigate a broader issue, the false correlations between epistemic uncertainty and decision-making, an essential factor that causes suboptimality. In this paper, we propose falSe COrrelation REduction (SCORE) for offline RL, a practically effective and theoretically provable algorithm. We empirically show that SCORE achieves the SoTA performance with 3.1x acceleration on various tasks in a standard benchmark (D4RL). The proposed algorithm introduces an annealing behavior cloning regularizer to help produce a high-quality estimation of uncertainty which is critical for eliminating false correlations from suboptimality. Theoretically, we justify the rationality of the proposed method and prove its convergence to the optimal policy with a sublinear rate under mild assumptions.

Zi-Yuan Hu, Jin Huang, Zhi-Hong Deng et al.

Collaborative Filtering (CF) based recommendation methods have been widely studied, which can be generally categorized into two types, i.e., representation learning-based CF methods and matching function learning-based CF methods. Representation learning tries to learn a common low dimensional space for the representations of users and items. In this case, a user and item match better if they have higher similarity in that common space. Matching function learning tries to directly learn the complex matching function that maps user-item pairs to matching scores. Although both methods are well developed, they suffer from two fundamental flaws, i.e., the representation learning resorts to applying a dot product which has limited expressiveness on the latent features of users and items, while the matching function learning has weakness in capturing low-rank relations. To overcome such flaws, we propose a novel recommendation model named Balanced Collaborative Filtering Network (BCFNet), which has the strengths of the two types of methods. In addition, an attention mechanism is designed to better capture the hidden information within implicit feedback and strengthen the learning ability of the neural network. Furthermore, a balance module is designed to alleviate the over-fitting issue in DNNs. Extensive experiments on eight real-world datasets demonstrate the effectiveness of the proposed model.

Zhi-Hong Deng, Ling Huang, Chang-Dong Wang et al.

In general, recommendation can be viewed as a matching problem, i.e., match proper items for proper users. However, due to the huge semantic gap between users and items, it's almost impossible to directly match users and items in their initial representation spaces. To solve this problem, many methods have been studied, which can be generally categorized into two types, i.e., representation learning-based CF methods and matching function learning-based CF methods. Representation learning-based CF methods try to map users and items into a common representation space. In this case, the higher similarity between a user and an item in that space implies they match better. Matching function learning-based CF methods try to directly learn the complex matching function that maps user-item pairs to matching scores. Although both methods are well developed, they suffer from two fundamental flaws, i.e., the limited expressiveness of dot product and the weakness in capturing low-rank relations respectively. To this end, we propose a general framework named DeepCF, short for Deep Collaborative Filtering, to combine the strengths of the two types of methods and overcome such flaws. Extensive experiments on four publicly available datasets demonstrate the effectiveness of the proposed DeepCF framework.