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Zixuan Ling

Publications and source records attributed to Zixuan Ling.

10 recordsLinked to original sources

Multigrid Training for Molecular Generation using Graph Neural Networks

Deep learning has demonstrated significant success for modeling biochemical molecular systems, where inputs are commonly represented as graphs or 3D grids. A major challenge is that computational cost scales with resolution, making full graph/grid computation of molecular densities expensive and often unstable. We introduce a multigrid training strategy that leverages low-resolution optimization to accelerate learning at higher resolution through parameter transfer across discretizations. For graph molecular representations, we progressively transfer parameters learned from a coarse graph to a sequence of increasingly finer graphs via biased random walk upsampling. For 3D molecular generation, we voxelize the molecular structures at multiple resolutions, pretrain a coarse-resolution conditional Variational Autoencoder (CVAE), and initialize a fine-resolution CVAE by transferring shape compatible convolutional parameters from the coarse model. Numerical experiments on receptor-conditioned 3D Ligand generation show that multigrid training accelerates convergence and improves generalization compared to training from scratch.

cs.LG

Code Benchmarks Should Prioritize Rigor, Reliability, and Reproducibility

Code-related benchmarks play a critical role in evaluating large language models (LLMs), yet their quality fundamentally shapes how the community interprets model capabilities. In the past few years, awareness of benchmark quality has grown. Yet, after a decade-scale (2014-2025) survey over 672 code benchmarks, we observed a lag between growing awareness and actual practice. For example, in 2025 alone, the number of benchmarks that ignore code coverage when providing test cases nearly matches the total count accumulated across the previous ten years. In response, we take a clear position: Code benchmarks must prioritize rigor in benchmark construction, reliability in evaluation, and reproducibility in release. To operationalize this position, we introduce a code benchmark guideline HOW2BENCH with 55 checklists. Finally, our further human study also exposed that the current issues not only stem from the significant effort required, but also from a lack of awareness regarding their importance.

cs.SE

Learning to Ask: When LLM Agents Meet Unclear Instruction

Equipped with the capability to call functions, modern large language models (LLMs) can leverage external tools for addressing a range of tasks unattainable through language skills alone. However, the effective execution of these tools relies heavily not just on the advanced capabilities of LLMs but also on precise user instructions, which often cannot be ensured in the real world. To evaluate the performance of LLMs tool-use under imperfect instructions, we meticulously examine the real-world instructions queried from users, analyze the error patterns, and build a challenging tool-use benchmark called Noisy ToolBench (NoisyToolBench). We find that due to the next-token prediction training objective, LLMs tend to arbitrarily generate the missed argument, which may lead to hallucinations and risks. To address this issue, we propose a novel framework, Ask-when-Needed (AwN), which prompts LLMs to ask questions to users whenever they encounter obstacles due to unclear instructions. Moreover, to reduce the manual labor involved in user-LLM interaction and assess LLMs performance in tool utilization from both accuracy and efficiency perspectives, we design an automated evaluation tool named ToolEvaluator. Our experiments demonstrate that the AwN significantly outperforms existing frameworks for tool learning in the NoisyToolBench. We will release all related code and datasets to support future research.

cs.CL

Aligning Large Language Models with Human Preferences through Representation Engineering

Aligning large language models (LLMs) with human preferences is crucial for enhancing their utility in terms of helpfulness, truthfulness, safety, harmlessness, and interestingness. Existing methods for achieving this alignment often involves employing reinforcement learning from human feedback (RLHF) to fine-tune LLMs based on human labels assessing the relative quality of model responses. Nevertheless, RLHF is susceptible to instability during fine-tuning and presents challenges in implementation.Drawing inspiration from the emerging field of representation engineering (RepE), this study aims to identify relevant representations for high-level human preferences embedded in patterns of activity within an LLM, and achieve precise control of model behavior by transforming its representations. This novel approach, denoted as Representation Alignment from Human Feedback (RAHF), proves to be effective, computationally efficient, and easy to implement.Extensive experiments demonstrate the efficacy of RAHF in not only capturing but also manipulating representations to align with a broad spectrum of human preferences or values, rather than being confined to a singular concept or function (e.g. honesty or bias). RAHF's versatility in accommodating diverse human preferences shows its potential for advancing LLM performance.

cs.CL

Towards Biologically Plausible Computing: A Comprehensive Comparison

Backpropagation is a cornerstone algorithm in training neural networks for supervised learning, which uses a gradient descent method to update network weights by minimizing the discrepancy between actual and desired outputs. Despite its pivotal role in propelling deep learning advancements, the biological plausibility of backpropagation is questioned due to its requirements for weight symmetry, global error computation, and dual-phase training. To address this long-standing challenge, many studies have endeavored to devise biologically plausible training algorithms. However, a fully biologically plausible algorithm for training multilayer neural networks remains elusive, and interpretations of biological plausibility vary among researchers. In this study, we establish criteria for biological plausibility that a desirable learning algorithm should meet. Using these criteria, we evaluate a range of existing algorithms considered to be biologically plausible, including Hebbian learning, spike-timing-dependent plasticity, feedback alignment, target propagation, predictive coding, forward-forward algorithm, perturbation learning, local losses, and energy-based learning. Additionally, we empirically evaluate these algorithms across diverse network architectures and datasets. We compare the feature representations learned by these algorithms with brain activity recorded by non-invasive devices under identical stimuli, aiming to identify which algorithm can most accurately replicate brain activity patterns. We are hopeful that this study could inspire the development of new biologically plausible algorithms for training multilayer networks, thereby fostering progress in both the fields of neuroscience and machine learning.

cs.NE

Promoting Data and Model Privacy in Federated Learning through Quantized LoRA

Conventional federated learning primarily aims to secure the privacy of data distributed across multiple edge devices, with the global model dispatched to edge devices for parameter updates during the learning process. However, the development of large language models (LLMs) requires substantial data and computational resources, rendering them valuable intellectual properties for their developers and owners. To establish a mechanism that protects both data and model privacy in a federated learning context, we introduce a method that just needs to distribute a quantized version of the model's parameters during training. This method enables accurate gradient estimations for parameter updates while preventing clients from accessing a model whose performance is comparable to the centrally hosted one. Moreover, we combine this quantization strategy with LoRA, a popular and parameter-efficient fine-tuning method, to significantly reduce communication costs in federated learning. The proposed framework, named \textsc{FedLPP}, successfully ensures both data and model privacy in the federated learning context. Additionally, the learned central model exhibits good generalization and can be trained in a resource-efficient manner.

cs.LG

Advancing Parameter Efficiency in Fine-tuning via Representation Editing

Parameter Efficient Fine-Tuning (PEFT) techniques have drawn significant attention due to their ability to yield competitive results while updating only a small portion of the adjustable parameters. However, existing PEFT methods pose challenges in hyperparameter selection, such as choosing the rank for LoRA or Adapter, or specifying the length of soft prompts. To address these challenges, we propose a novel fine-tuning approach for neural models, named Representation EDiting (RED), which modifies the representations generated at some layers through the application of scaling and biasing operations. While existing PEFT methods still demonstrate over-parameterization that could potentially undermine the generalization ability acquired from pre-training, RED can substantially reduce the number of trainable parameters by a factor of 25, 700 compared to full parameter fine-tuning and by a factor of 32 relative to LoRA. Remarkably, RED achieves results comparable or superior to both full parameter fine-tuning and other PEFT methods. Extensive experiments across various model architectures and scales, including RoBERTa, GPT-2, T5, and LLaMA-2, have demonstrated the effectiveness and efficiency of RED1, thereby positioning it as a promising PEFT strategy for large-scale neural models.

cs.LG

Decoding Continuous Character-based Language from Non-invasive Brain Recordings

Deciphering natural language from brain activity through non-invasive devices remains a formidable challenge. Previous non-invasive decoders either require multiple experiments with identical stimuli to pinpoint cortical regions and enhance signal-to-noise ratios in brain activity, or they are limited to discerning basic linguistic elements such as letters and words. We propose a novel approach to decoding continuous language from single-trial non-invasive fMRI recordings, in which a three-dimensional convolutional network augmented with information bottleneck is developed to automatically identify responsive voxels to stimuli, and a character-based decoder is designed for the semantic reconstruction of continuous language characterized by inherent character structures. The resulting decoder can produce intelligible textual sequences that faithfully capture the meaning of perceived speech both within and across subjects, while existing decoders exhibit significantly inferior performance in cross-subject contexts. The ability to decode continuous language from single trials across subjects demonstrates the promising applications of non-invasive language brain-computer interfaces in both healthcare and neuroscience.

cs.CL

SpikeBERT: A Language Spikformer Learned from BERT with Knowledge Distillation

Spiking neural networks (SNNs) offer a promising avenue to implement deep neural networks in a more energy-efficient way. However, the network architectures of existing SNNs for language tasks are still simplistic and relatively shallow, and deep architectures have not been fully explored, resulting in a significant performance gap compared to mainstream transformer-based networks such as BERT. To this end, we improve a recently-proposed spiking Transformer (i.e., Spikformer) to make it possible to process language tasks and propose a two-stage knowledge distillation method for training it, which combines pre-training by distilling knowledge from BERT with a large collection of unlabelled texts and fine-tuning with task-specific instances via knowledge distillation again from the BERT fine-tuned on the same training examples. Through extensive experimentation, we show that the models trained with our method, named SpikeBERT, outperform state-of-the-art SNNs and even achieve comparable results to BERTs on text classification tasks for both English and Chinese with much less energy consumption. Our code is available at https://github.com/Lvchangze/SpikeBERT.

cs.CL

Identifying the Achilles' Heel: An Iterative Method for Dynamically Uncovering Factual Errors in Large Language Models

Large Language Models (LLMs) like ChatGPT are foundational in various applications due to their extensive knowledge from pre-training and fine-tuning. Despite this, they are prone to generating factual and commonsense errors, raising concerns in critical areas like healthcare, journalism, and education to mislead users. Current methods for evaluating LLMs' veracity are limited by the need for extensive human labor, test data contamination, or limited scope, hindering efficient and effective exposure of errors. To address these challenges, we propose HalluHunter, a novel, fully automated framework for systematically uncovering factual inaccuracies in LLMs. HalluHunter employs a knowledge-graph-based approach, extracting fact triplets to generate diverse question types for single- and multi-hop reasoning using rule-based Natural Language Processing (NLP) techniques. Its iterative process starts with random triplet selection for question generation, followed by adaptive selection in subsequent iterations, targeting triplets where LLMs frequently err based on their performance analysis. Our extensive tests on nine prominent LLMs reveal that HalluHunter can trigger factual errors in up to 55% of tested questions. Moreover, we demonstrate that HalluHunter's test cases, particularly in adaptive selection, could further expose the weaknesses in benchmarking the factuality in LLMs meanwhile maintaining the coverage of questions. All code, data, and results are available at this link: https://github.com/Mysterchan/HalluHunter.

cs.SE