Education
Bridging Today and the Future of Humanity: AI Safety in 2024 and Beyond
The advancements in generative AI inevitably raise concerns about their risks and safety implications, which, in return, catalyzes significant progress in AI safety. However, as this field continues to evolve, a critical question arises: are our current efforts on AI safety aligned with the advancements of AI as well as the long-term goal of human civilization? This paper presents a blueprint for an advanced human society and leverages this vision to guide current AI safety efforts. It outlines a future where the Internet of Everything becomes reality, and creates a roadmap of significant technological advancements towards this envisioned future. For each stage of the advancements, this paper forecasts potential AI safety issues that humanity may face. By projecting current efforts against this blueprint, this paper examines the alignment between the current efforts and the long-term needs, and highlights unique challenges and missions that demand increasing attention from AI safety practitioners in the 2020s. This vision paper aims to offer a broader perspective on AI safety, emphasizing that our current efforts should not only address immediate concerns but also anticipate potential risks in the expanding AI landscape, thereby promoting a safe and sustainable future of AI and human civilization.
A Virtual Cell Is a 'Holy Grail' of Science. It's Getting Closer.
The human cell is a miserable thing to study. Tens of trillions of them exist in the body, forming an enormous and intricate network that governs every disease and metabolic process. Each cell in that circuit is itself the product of an equally dense and complex interplay among genes, proteins, and other bits of profoundly small biological machinery. Our understanding of this world is hazy and constantly in flux. As recently as a few years ago, scientists thought there were only a few hundred distinct cell types, but new technologies have revealed thousands (and that's just the start).
Interpretable Enzyme Function Prediction via Residue-Level Detection
Yang, Zhao, Su, Bing, Chen, Jiahao, Wen, Ji-Rong
Predicting multiple functions labeled with Enzyme Commission (EC) numbers from the enzyme sequence is of great significance but remains a challenge due to its sparse multi-label classification nature, i.e., each enzyme is typically associated with only a few labels out of more than 6000 possible EC numbers. However, existing machine learning algorithms generally learn a fixed global representation for each enzyme to classify all functions, thereby they lack interpretability and the fine-grained information of some function-specific local residue fragments may be overwhelmed. Here we present an attention-based framework, namely ProtDETR (Protein Detection Transformer), by casting enzyme function prediction as a detection problem. It uses a set of learnable functional queries to adaptatively extract different local representations from the sequence of residue-level features for predicting different EC numbers. ProtDETR not only significantly outperforms existing deep learning-based enzyme function prediction methods, but also provides a new interpretable perspective on automatically detecting different local regions for identifying different functions through cross-attentions between queries and residue-level features. The development of genome sequencing technologies has unveiled a vast collection of protein sequences, but detailed functional annotations are only available for a very small number of them [2]. Evaluating the functions of protein sequences via wet experiments is time-consuming, labor-intensive, and expensive, underscoring the critical need for computational methods to predict protein functions. This is particularly acute in the study of enzymes, which catalyze various biological reactions and are central to understanding metabolic processes. For the most widely-used EC number classification scheme, each class of enzyme function is assigned an EC number, which is a four-level hierarchy reflecting the intricate organization of enzyme functions.
Contextual Bandit Optimization with Pre-Trained Neural Networks
Bandit optimization is a difficult problem, especially if the reward model is high-dimensional. When rewards are modeled by neural networks, sublinear regret has only been shown under strong assumptions, usually when the network is extremely wide. In this thesis, we investigate how pre-training can help us in the regime of smaller models. We consider a stochastic contextual bandit with the rewards modeled by a multi-layer neural network. The last layer is a linear predictor, and the layers before it are a black box neural architecture, which we call a representation network. We model pre-training as an initial guess of the weights of the representation network provided to the learner. To leverage the pre-trained weights, we introduce a novel algorithm we call Explore Twice then Commit (E2TC). During its two stages of exploration, the algorithm first estimates the last layer's weights using Ridge regression, and then runs Stochastic Gradient Decent jointly on all the weights. For a locally convex loss function, we provide conditions on the pre-trained weights under which the algorithm can learn efficiently. Under these conditions, we show sublinear regret of E2TC when the dimension of the last layer and number of actions $K$ are much smaller than the horizon $T$. In the weak training regime, when only the last layer is learned, the problem reduces to a misspecified linear bandit. We introduce a measure of misspecification $\epsilon_0$ for this bandit and use it to provide bounds $O(\epsilon_0\sqrt{d}KT+(KT)^{4 /5})$ or $\tilde{O}(\epsilon_0\sqrt{d}KT+d^{1 /3}(KT)^{2 /3})$ on the regret, depending on regularization strength. The first of these bounds has a dimension-independent sublinear term, made possible by the stochasticity of contexts. We also run experiments to evaluate the regret of E2TC and sample complexity of its exploration in practice.
FedSA: A Unified Representation Learning via Semantic Anchors for Prototype-based Federated Learning
Zhou, Yanbing, Qu, Xiangmou, You, Chenlong, Zhou, Jiyang, Tang, Jingyue, Zheng, Xin, Cai, Chunmao, Wu, Yingbo
Prototype-based federated learning has emerged as a promising approach that shares lightweight prototypes to transfer knowledge among clients with data heterogeneity in a model-agnostic manner. However, existing methods often collect prototypes directly from local models, which inevitably introduce inconsistencies into representation learning due to the biased data distributions and differing model architectures among clients. In this paper, we identify that both statistical and model heterogeneity create a vicious cycle of representation inconsistency, classifier divergence, and skewed prototype alignment, which negatively impacts the performance of clients. To break the vicious cycle, we propose a novel framework named Federated Learning via Semantic Anchors (FedSA) to decouple the generation of prototypes from local representation learning. We introduce a novel perspective that uses simple yet effective semantic anchors serving as prototypes to guide local models in learning consistent representations. By incorporating semantic anchors, we further propose anchor-based regularization with margin-enhanced contrastive learning and anchor-based classifier calibration to correct feature extractors and calibrate classifiers across clients, achieving intra-class compactness and inter-class separability of prototypes while ensuring consistent decision boundaries. We then update the semantic anchors with these consistent and discriminative prototypes, which iteratively encourage clients to collaboratively learn a unified data representation with robust generalization. Extensive experiments under both statistical and model heterogeneity settings show that FedSA significantly outperforms existing prototype-based FL methods on various classification tasks.
CodEv: An Automated Grading Framework Leveraging Large Language Models for Consistent and Constructive Feedback
Tseng, En-Qi, Huang, Pei-Cing, Hsu, Chan, Wu, Peng-Yi, Ku, Chan-Tung, Kang, Yihuang
Grading programming assignments is crucial for guiding students to improve their programming skills and coding styles. This study presents an automated grading framework, CodEv, which leverages Large Language Models (LLMs) to provide consistent and constructive feedback. We incorporate Chain of Thought (CoT) prompting techniques to enhance the reasoning capabilities of LLMs and ensure that the grading is aligned with human evaluation. Our framework also integrates LLM ensembles to improve the accuracy and consistency of scores, along with agreement tests to deliver reliable feedback and code review comments. The results demonstrate that the framework can yield grading results comparable to human evaluators, by using smaller LLMs. Evaluation and consistency tests of the LLMs further validate our approach, confirming the reliability of the generated scores and feedback.
Uncertainty-aware Knowledge Tracing
Cheng, Weihua, Du, Hanwen, Li, Chunxiao, Ni, Ersheng, Tan, Liangdi, Xu, Tianqi, Ni, Yongxin
Knowledge Tracing (KT) is crucial in education assessment, which focuses on depicting students' learning states and assessing students' mastery of subjects. With the rise of modern online learning platforms, particularly massive open online courses (MOOCs), an abundance of interaction data has greatly advanced the development of the KT technology. Previous research commonly adopts deterministic representation to capture students' knowledge states, which neglects the uncertainty during student interactions and thus fails to model the true knowledge state in learning process. In light of this, we propose an Uncertainty-Aware Knowledge Tracing model (UKT) which employs stochastic distribution embeddings to represent the uncertainty in student interactions, with a Wasserstein self-attention mechanism designed to capture the transition of state distribution in student learning behaviors. Additionally, we introduce the aleatory uncertainty-aware contrastive learning loss, which strengthens the model's robustness towards different types of uncertainties. Extensive experiments on six real-world datasets demonstrate that UKT not only significantly surpasses existing deep learning-based models in KT prediction, but also shows unique advantages in handling the uncertainty of student interactions.
TimeRL: Efficient Deep Reinforcement Learning with Polyhedral Dependence Graphs
Silvestre, Pedro F., Pietzuch, Peter
Modern deep learning (DL) workloads increasingly use complex deep reinforcement learning (DRL) algorithms that generate training data within the learning loop. This results in programs with several nested loops and dynamic data dependencies between tensors. While DL systems with eager execution support such dynamism, they lack the optimizations and smart scheduling of graph-based execution. Graph-based execution, however, cannot express dynamic tensor shapes, instead requiring the use of multiple static subgraphs. Either execution model for DRL thus leads to redundant computation, reduced parallelism, and less efficient memory management. We describe TimeRL, a system for executing dynamic DRL programs that combines the dynamism of eager execution with the whole-program optimizations and scheduling of graph-based execution. TimeRL achieves this by introducing the declarative programming model of recurrent tensors, which allows users to define dynamic dependencies as intuitive recurrence equations. TimeRL translates recurrent tensors into a polyhedral dependence graph (PDG) with dynamic dependencies as symbolic expressions. Through simple PDG transformations, TimeRL applies whole-program optimizations, such as automatic vectorization, incrementalization, and operator fusion. The PDG also allows for the computation of an efficient program-wide execution schedule, which decides on buffer deallocations, buffer donations, and GPU/CPU memory swapping. We show that TimeRL executes current DRL algorithms up to 47$\times$ faster than existing DRL systems, while using 16$\times$ less GPU peak memory.
FairCode: Evaluating Social Bias of LLMs in Code Generation
Du, Yongkang, Huang, Jen-tse, Zhao, Jieyu, Lin, Lu
Large language models (LLMs) have demonstrated significant capability in code generation, drawing increasing attention to the evaluation of the quality and safety of their outputs. However, research on bias in code generation remains limited. Existing studies typically assess bias by applying malicious prompts or reapply tasks and dataset for discriminative models. Given that LLMs are often aligned with human values and that prior datasets are not fully optimized for code-related tasks, there is a pressing need for benchmarks specifically designed for evaluating code models. In this study, we introduce FairCode, a novel benchmark for evaluating bias in code generation. FairCode comprises two tasks: function implementation and test case generation, each evaluating social bias through diverse scenarios. Additionally, we propose a new metric, FairScore, to assess model performance on this benchmark. We conduct experiments on widely used LLMs and provide a comprehensive analysis of the results. The findings reveal that all tested LLMs exhibit bias. The code is available at https://github.com/YongkDu/FairCode.
Search-o1: Agentic Search-Enhanced Large Reasoning Models
Li, Xiaoxi, Dong, Guanting, Jin, Jiajie, Zhang, Yuyao, Zhou, Yujia, Zhu, Yutao, Zhang, Peitian, Dou, Zhicheng
Large reasoning models (LRMs) like OpenAI-o1 have demonstrated impressive long stepwise reasoning capabilities through large-scale reinforcement learning. However, their extended reasoning processes often suffer from knowledge insufficiency, leading to frequent uncertainties and potential errors. To address this limitation, we introduce \textbf{Search-o1}, a framework that enhances LRMs with an agentic retrieval-augmented generation (RAG) mechanism and a Reason-in-Documents module for refining retrieved documents. Search-o1 integrates an agentic search workflow into the reasoning process, enabling dynamic retrieval of external knowledge when LRMs encounter uncertain knowledge points. Additionally, due to the verbose nature of retrieved documents, we design a separate Reason-in-Documents module to deeply analyze the retrieved information before injecting it into the reasoning chain, minimizing noise and preserving coherent reasoning flow. Extensive experiments on complex reasoning tasks in science, mathematics, and coding, as well as six open-domain QA benchmarks, demonstrate the strong performance of Search-o1. This approach enhances the trustworthiness and applicability of LRMs in complex reasoning tasks, paving the way for more reliable and versatile intelligent systems. The code is available at \url{https://github.com/sunnynexus/Search-o1}.