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Haixu Tang

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Published work

5 published item(s)

preprint2026arXiv

Can LLMs Predict Polymer Physics Just by Reading Synthesis and Processing Prose?

Can large language models predict physical and mechanical polymer properties simply by reading unstructured scientific prose? Polymer performance is rarely determined by chemical structure alone; identical nominal polymers can exhibit drastically different behaviors depending on their synthesis route, processing history, morphology, and testing conditions. Yet, state-of-the-art polymer property models typically rely on structure-only representations -- such as SMILES or molecular graphs -- which strip away this vital experimental context. In this work, we introduce \textbf{PolyLM}, a natural-language-only, process- and condition-aware framework that predicts materials performance directly from full-text literature. By circumventing structural inputs entirely, PolyLM preserves the nuanced, unstructured descriptions of synthesis and processing reported by domain scientists. To train this framework, we curated an unprecedented, literature-scale dataset encompassing 185,000 scientific papers and over 276,400 unique polymer samples across 22 physical, mechanical, and thermal properties. We fine-tuned a massive 9-billion-parameter language model (Qwen3.5-9B) using Low-Rank Adaptation (LoRA) and task-level uncertainty weighting. Evaluated on 68,283 held-out observations, the model achieves remarkably high predictive accuracy, establishing new state-of-the-art benchmarks for complex properties. Across the 22 diverse targets, the model achieves a median $R^2$ of 0.74, with predictions for key thermal, mechanical, and physicochemical properties frequently surpassing an $R^2$ of 0.80. These results unequivocally demonstrate that natural language is a powerful, highly scalable interface for realistic materials performance prediction.

preprint2026arXiv

How to Compress KV Cache in RL Post-Training? Shadow Mask Distillation for Memory-Efficient Alignment

Reinforcement Learning (RL) has emerged as a crucial paradigm for unlocking the advanced reasoning capabilities of Large Language Models (LLMs), encompassing frameworks like RLHF and RLAIF. Regardless of the specific optimization algorithm (e.g., PPO, GRPO, or Online DPO), online RL inherently requires an exploratory trajectory generation (rollout) phase. However, for long-context reasoning tasks, this rollout phase imposes a severe ``memory wall'' due to the exorbitant Key-Value (KV) cache footprint. While applying KV cache compression during rollouts mitigates this memory overhead, it induces a critical off-policy bias. Although modern KV compression is often nearly lossless during standard inference, even minuscule approximation errors are drastically amplified by the inherent instability of RL optimization. Specifically, the sampler generates responses under a sparse context, whereas the learner updates parameters using the full, dense context. Existing statistical solutions, such as importance reweighting, struggle to correct this magnified bias, suffering from high gradient variance and severe sample inefficiency.

preprint2020arXiv

Bounding The Number of Linear Regions in Local Area for Neural Networks with ReLU Activations

The number of linear regions is one of the distinct properties of the neural networks using piecewise linear activation functions such as ReLU, comparing with those conventional ones using other activation functions. Previous studies showed this property reflected the expressivity of a neural network family ([14]); as a result, it can be used to characterize how the structural complexity of a neural network model affects the function it aims to compute. Nonetheless, it is challenging to directly compute the number of linear regions; therefore, many researchers focus on estimating the bounds (in particular the upper bound) of the number of linear regions for deep neural networks using ReLU. These methods, however, attempted to estimate the upper bound in the entire input space. The theoretical methods are still lacking to estimate the number of linear regions within a specific area of the input space, e.g., a sphere centered at a training data point such as an adversarial example or a backdoor trigger. In this paper, we present the first method to estimate the upper bound of the number of linear regions in any sphere in the input space of a given ReLU neural network. We implemented the method, and computed the bounds in deep neural networks using the piece-wise linear active function. Our experiments showed that, while training a neural network, the boundaries of the linear regions tend to move away from the training data points. In addition, we observe that the spheres centered at the training data points tend to contain more linear regions than any arbitrary points in the input space. To the best of our knowledge, this is the first study of bounding linear regions around a specific data point. We consider our work as a first step toward the investigation of the structural complexity of deep neural networks in a specific input area.

preprint2020arXiv

Confidential Attestation: Efficient in-Enclave Verification of Privacy Policy Compliance

A trusted execution environment (TEE) such as Intel Software Guard Extension (SGX) runs a remote attestation to prove to a data owner the integrity of the initial state of an enclave, including the program to operate on her data. For this purpose, the data-processing program is supposed to be open to the owner, so its functionality can be evaluated before trust can be established. However, increasingly there are application scenarios in which the program itself needs to be protected. So its compliance with privacy policies as expected by the data owner should be verified without exposing its code. To this end, this paper presents CAT, a new model for TEE-based confidential attestation. Our model is inspired by Proof-Carrying Code, where a code generator produces proof together with the code and a code consumer verifies the proof against the code on its compliance with security policies. Given that the conventional solutions do not work well under the resource-limited and TCB-frugal TEE, we propose a new design that allows an untrusted out-enclave generator to analyze the source code of a program when compiling it into binary and a trusted in-enclave consumer efficiently verifies the correctness of the instrumentation and the presence of other protection before running the binary. Our design strategically moves most of the workload to the code generator, which is responsible for producing well-formatted and easy-to-check code, while keeping the consumer simple. Also, the whole consumer can be made public and verified through a conventional attestation. We implemented this model on Intel SGX and demonstrate that it introduces a very small part of TCB. We also thoroughly evaluated its performance on micro- and macro- benchmarks and real-world applications, showing that the new design only incurs a small overhead when enforcing several categories of security policies.

preprint2015arXiv

Utilizing de Bruijn graph of metagenome assembly for metatranscriptome analysis

Metagenomics research has accelerated the studies of microbial organisms, providing insights into the composition and potential functionality of various microbial communities. Metatranscriptomics (studies of the transcripts from a mixture of microbial species) and other meta-omics approaches hold even greater promise for providing additional insights into functional and regulatory characteristics of the microbial communities. Current metatranscriptomics projects are often carried out without matched metagenomic datasets (of the same microbial communities). For the projects that produce both metatranscriptomic and metagenomic datasets, their analyses are often not integrated. Metagenome assemblies are far from perfect, partially explaining why metagenome assemblies are not used for the analysis of metatranscriptomic datasets. Here we report a reads mapping algorithm for mapping of short reads onto a de Bruijn graph of assemblies. A hash table of junction k-mers (k-mers spanning branching structures in the de Bruijn graph) is used to facilitate fast mapping of reads to the graph. We developed an application of this mapping algorithm: a reference based approach to metatranscriptome assembly using graphs of metagenome assembly as the reference. Our results show that this new approach (called TAG) helps to assemble substantially more transcripts that otherwise would have been missed or truncated because of the fragmented nature of the reference metagenome. TAG was implemented in C++ and has been tested extensively on the linux platform. It is available for download as open source at http://omics.informatics.indiana.edu/TAG.