We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.

Large language models (LLMs) excel at zero-shot inference but continue to struggle with complex, multi-step reasoning. Recent methods that augment LLMs with intermediate reasoning steps such as Chain of Thought (CoT) and Program of Thought (PoT) improve performance but often produce undesirable solutions, especially in algorithmic domains. We introduce Per-Instance Program Synthesis (PIPS), a method that generates and refines programs at the instance-level using structural feedback without relying on task-specific guidance or explicit test cases. To further improve performance, PIPS incorporates a confidence metric that dynamically chooses between direct inference and program synthesis on a per-instance basis. Experiments across three frontier LLMs and 30 benchmarks including all tasks of Big Bench Extra Hard (BBEH), visual question answering tasks, relational reasoning tasks, and mathematical reasoning tasks show that PIPS improves the absolute harmonic mean accuracy by up to 8.6% and 9.4% compared to PoT and CoT respectively, and reduces undesirable program generations by 65.1% on the algorithmic tasks compared to PoT with Gemini-2.0-Flash.

We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.

Hallucinations in Large Language Models (LLMs) are widely regarded as errors - outputs that deviate from factual accuracy. However, in creative or exploratory contexts, these "mistakes" may represent unexpected avenues for innovation. We introduce Purposefully Induced Psychosis (PIP), a novel approach that amplifies LLM hallucinations for imaginative tasks such as speculative fiction, interactive storytelling, and mixed-reality simulations. Drawing on Herman Melville's Moby-Dick, where Pip's "madness" reveals profound insight, we reframe hallucinations as a source of computational imagination rather than a flaw. Our method fine-tunes LLMs to encourage speculative, metaphorical, and surreal outputs - hallucinations that are useful when factual accuracy is not the chief objective. Inspired by the consensual illusions of theater and stage magic, PIP situates these creative missteps in contexts where users willingly suspend disbelief, thereby transforming "errors" into catalysts for new ways of thinking. We discuss potential applications, design principles for ensuring user consent, preliminary observations, and implications for broader AI ethics and human-AI collaboration.

The rapid increase in the parameter counts of Large Language Models (LLMs), reaching billions or even trillions, presents significant challenges for their practical deployment, particularly in resource-constrained environments. To ease this issue, we propose PIP (Perturbation-based Iterative Pruning), a novel double-view structured pruning method to optimize LLMs, which combines information from two different views: the unperturbed view and the perturbed view. With the calculation of gradient differences, PIP iteratively prunes those that struggle to distinguish between these two views. Our experiments show that PIP reduces the parameter count by approximately 20% while retaining over 85% of the original model's accuracy across varied benchmarks. In some cases, the performance of the pruned model is within 5% of the unpruned version, demonstrating PIP's ability to preserve key aspects of model effectiveness. Moreover, PIP consistently outperforms existing state-of-the-art (SOTA) structured pruning methods, establishing it as a leading technique for optimizing LLMs in environments with constrained resources. Our code is available at: https://github.com/caoyiiiiii/PIP.

Time-delayed differential equations (TDDEs) are widely used to model complex dynamic systems where future states depend on past states with a delay. However, inferring the underlying TDDEs from observed data remains a challenging problem due to the inherent nonlinearity, uncertainty, and noise in real-world systems. Conventional equation discovery methods often exhibit limitations when dealing with large time delays, relying on deterministic techniques or optimization-based approaches that may struggle with scalability and robustness. In this paper, we present BayTiDe - Bayesian Approach for Discovering Time-Delayed Differential Equations from Data, that is capable of identifying arbitrarily large values of time delay to an accuracy that is directly proportional to the resolution of the data input to it. BayTiDe leverages Bayesian inference combined with a sparsity-promoting discontinuous spike-and-slab prior to accurately identify time-delayed differential equations. The approach accommodates arbitrarily large time delays with accuracy proportional to the input data resolution, while efficiently narrowing the search space to achieve significant computational savings. We demonstrate the efficiency and robustness of BayTiDe through a range of numerical examples, validating its ability to recover delayed differential equations from noisy data.

Large Vision-Language Models (LVLMs) have demonstrated their powerful multimodal capabilities. However, they also face serious safety problems, as adversaries can induce robustness issues in LVLMs through the use of well-designed adversarial examples. Therefore, LVLMs are in urgent need of detection tools for adversarial examples to prevent incorrect responses. In this work, we first discover that LVLMs exhibit regular attention patterns for clean images when presented with probe questions. We propose an unconventional method named PIP, which utilizes the attention patterns of one randomly selected irrelevant probe question (e.g., "Is there a clock?") to distinguish adversarial examples from clean examples. Regardless of the image to be tested and its corresponding question, PIP only needs to perform one additional inference of the image to be tested and the probe question, and then achieves successful detection of adversarial examples. Even under black-box attacks and open dataset scenarios, our PIP, coupled with a simple SVM, still achieves more than 98% recall and a precision of over 90%. Our PIP is the first attempt to detect adversarial attacks on LVLMs via simple irrelevant probe questions, shedding light on deeper understanding and introspection within LVLMs. The code is available at https://github.com/btzyd/pip.

Federated Class Incremental Learning (FCIL) is a new direction in continual learning (CL) for addressing catastrophic forgetting and non-IID data distribution simultaneously. Existing FCIL methods call for high communication costs and exemplars from previous classes. We propose a novel rehearsal-free method for FCIL named prototypes-injected prompt (PIP) that involves 3 main ideas: a) prototype injection on prompt learning, b) prototype augmentation, and c) weighted Gaussian aggregation on the server side. Our experiment result shows that the proposed method outperforms the current state of the arts (SOTAs) with a significant improvement (up to 33%) in CIFAR100, MiniImageNet and TinyImageNet datasets. Our extensive analysis demonstrates the robustness of PIP in different task sizes, and the advantage of requiring smaller participating local clients, and smaller global rounds. For further study, source codes of PIP, baseline, and experimental logs are shared publicly in https://github.com/anwarmaxsum/PIP.