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Haolin Cong

Publications and source records attributed to Haolin Cong.

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Smooth Dynamic Cutoffs for Machine Learning Interatomic Potentials

Machine learning interatomic potentials (MLIPs) have proven to be wildly useful for molecular dynamics simulations, powering countless drug and materials discovery applications. However, MLIPs face two primary bottlenecks preventing them from reaching realistic simulation scales: inference time and memory consumption. In this work, we address both issues by challenging the long-held belief that the cutoff radius for the MLIP must be held to a fixed, constant value. For the first time, we introduce a dynamic cutoff formulation that still leads to stable, long timescale molecular dynamics simulation. In introducing the dynamic cutoff, we are able to induce sparsity onto the underlying atom graph by targeting a specific number of neighbors per atom, significantly reducing both memory consumption and inference time. We show the effectiveness of a dynamic cutoff by implementing it onto 4 state of the art MLIPs: MACE, Nequip, Orbv3, and TensorNet, leading to 2.26x less memory consumption and 2.04x faster inference time, depending on the model and atomic system. We also perform an extensive error analysis and find that the dynamic cutoff models exhibit minimal accuracy dropoff compared to their fixed cutoff counterparts on both materials and molecular datasets. All model implementations and training code will be fully open sourced.

cs.LG

Search over Self-Edit Strategies for LLM Adaptation

Many LLM-based open-ended search systems freeze the foundation model that proposes improvements to existing solutions, which may bottleneck long-run progress. Recent work has explored updating the proposal model at test time [arXiv:2511.23473], but the update strategy is still typically hand-specified. Therefore, this study investigated whether an LLM can use task feedback to decide how it should update its weights. For tractability, we focused on the simpler case where there is only one round of self-improvement, and restricted the update operator to self-supervised next token prediction (NTP), leaving the model freedom in choosing its training data and key NTP hyperparameters. Using the Self-Adapting Language Models (SEAL) [arXiv:2506.10943] framework as a testbed, we relaxed its fixed human template constraint and allowed the model to generate its own self-edit templates, thereby giving it more control over its training data and hyperparameters. Two variants were studied, differing in whether template generation was conditioned on a lightweight archive of past templates. In SEAL's Single-Passage Knowledge Incorporation setting with Qwen3-8B on SQuAD [arXiv:1606.05250], the no-archive variant performed comparably to the weaker "Implications" baseline, while the archive variant outperformed "Implications" and approached the strongest human-designed "Rewrite" baseline without surpassing it. Further analysis of collapse in the model's exploration revealed that a naive archive can confer some short-term robustness but can also accelerate homogenization, suggesting that explicit novelty pressure may be required to consistently advance beyond carefully optimized human strategies. Our code is available at https://github.com/cheongalc/search-self-edit-strategies .

cs.LG

Superconductor Logic Implementation with All-JJ Inductor-Free Cell Library

Single flux quantum (SFQ) technology has garnered significant attention due to its low switching power and high operational speed. Researchers have been actively pursuing more advanced devices and technologies to further reduce the reliance on inductors, bias, and dynamic power. Recently, innovative magnetic Josephson junction devices have emerged, enhancing the field of superconductor electronics (SCE) logic. This paper introduces a novel cell library design that relies entirely on Josephson junctions (JJs), showing promising potential for eliminating the need for inductors in conventional SFQ cells. This results in a 55% reduction in cell size and an 80% decrease in both static and dynamic power consumption. The proposed library implements a half flux quantum (HFQ) logic, where each pulse duration is half that of a single flux quantum pulse. The paper presents the schematics of the basic cells, emphasizing critical circuit parameters and their margins. Additionally, it examines layout blueprints, showcasing the advantageous area-saving characteristics of the proposed design.

cond-mat.supr-con

DigiQ: A Scalable Digital Controller for Quantum Computers Using SFQ Logic

The control of cryogenic qubits in today's superconducting quantum computer prototypes presents significant scalability challenges due to the massive costs of generating/routing the analog control signals that need to be sent from a classical controller at room temperature to the quantum chip inside the dilution refrigerator. Thus, researchers in industry and academia have focused on designing in-fridge classical controllers in order to mitigate these challenges. Superconducting Single Flux Quantum (SFQ) is a classical logic family proposed for large-scale in-fridge controllers. SFQ logic has the potential to maximize scalability thanks to its ultra-high speed and very low power consumption. However, architecture design for SFQ logic poses challenges due to its unconventional pulse-driven nature and lack of dense memory and logic. Thus, research at the architecture level is essential to guide architects to design SFQ-based classical controllers for large-scale quantum machines. In this paper, we present DigiQ, the first system-level design of a Noisy Intermediate Scale Quantum (NISQ)-friendly SFQ-based classical controller. We perform a design space exploration of SFQ-based controllers and co-design the quantum gate decompositions and SFQ-based implementation of those decompositions to find an optimal SFQ-friendly design point that trades area and power for latency and control while ensuring good quantum algorithmic performance. Our co-design results in a single instruction, multiple data (SIMD) controller architecture, which has high scalability (>42,000-qubit scales), but imposes new challenges on the calibration of control pulses. We present software-level solutions to address these challenges, which if unaddressed would degrade quantum circuit fidelity given the imperfections of qubit hardware.

quant-ph

Metastability-Resilient Synchronization FIFO for SFQ Logic

Digital single-flux quantum (SFQ) technology promises to meet the demands of ultra low power and high speed computing needed for future exascale supercomputing systems. The combination of ultra high clock frequencies, gate-level pipelines, and numerous sources of variability in SFQ circuits, however, make low-skew global clock distribution a challenge. This motivates the support of multiple independent clock domains and related clock domain crossing circuits that enable reliable communication across domains. Existing J-SIM simulation models indicate that setup violations can cause clock-to-Q increases of up to 100%. This paper first shows that naive SFQ clock domain crossing (CDC) first-in-first-out buffers (FIFOs) are vulnerable to these delay increases, motivating the need for more robust CDC FIFOs. Inspired by CMOS multi-flip-flop asynchronous FIFO synchronizers, we then propose a novel 1-bit metastability-resilient SFQ CDC FIFO that simulations show delivers over a 1000 reduction in logical error rate at 30 GHz. Moreover, for a 10-stage FIFO, the Josephson junction (JJ) area of our proposed design is only 7.5% larger than the non-resilient counterpart. Finally, we propose design guidelines that define the minimal FIFO depth subject to both throughput and burstiness constraints.

cs.ET