Vikash Singh

Wang Yang, Debargha Ganguly, Xinpeng Li et al.

Hybrid reasoning language models are commonly controlled through high-level Think/No-think instructions to regulate reasoning behavior, yet we found that such mode switching is largely driven by a small set of trigger tokens rather than the instructions themselves. Through attention analysis and controlled prompting experiments, we show that a leading ``Okay'' token induces reasoning behavior, while the newline pattern following ``</think>'' suppresses it. Based on this observation, we propose Mid-Think, a simple training-free prompting format that combines these triggers to achieve intermediate-budget reasoning, consistently outperforming fixed-token and prompt-based baselines in terms of the accuracy-length trade-off. Furthermore, applying Mid-Think to RL training after SFT reduces training time by approximately 15% while improving final performance of Qwen3-8B on AIME from 69.8% to 72.4% and on GPQA from 58.5% to 61.1%, demonstrating its effectiveness for both inference-time control and RL-based reasoning training.

Simone Antonelli, Vincent Davis, Harrison Rush et al.

The Lightning Network (LN) is a second-layer protocol for Bitcoin designed to enable fast and cost-efficient off-chain transactions. Channels in the LN can be closed either by mutual agreement or unilaterally through a forced closure, which locks the involved capital for an extended period and degrades network reliability. In this paper, we study the problem of predicting channel closure types from publicly available gossip data, framing it as a temporal link classification task over the evolving channel graph. We construct a dataset spanning over two years of LN activity and benchmark a range of machine learning approaches, from MLPs to temporal graph neural networks and spectral encodings. Our experiments reveal that the dominant predictive signals are temporal and behavioural, namely how recently each endpoint was active and the per-node history of past closures, while the surrounding network topology provides no additional benefit. We find that a simple MLP operating on edge-level features, node-level event counts, and temporal patterns outperforms all graph-based approaches, and discuss how the inherent privacy of the LN, where critical information such as channel balances and payment flows remains hidden, fundamentally limits the predictability of closures from gossip data alone. We publicly release the dataset and code at https://github.com/AmbossTech/ln-channel-closure-prediction to encourage further research on this practically relevant task.

Debargha Ganguly, Sreehari Sankar, Biyao Zhang et al.

Current approaches to LLM safety fundamentally rely on a brittle cat-and-mouse game of identifying and blocking known threats via guardrails. We argue for a fresh approach: robust safety comes not from enumerating what is harmful, but from deeply understanding what is safe. We introduce Trust The Typical (T3), a framework that operationalizes this principle by treating safety as an out-of-distribution (OOD) detection problem. T3 learns the distribution of acceptable prompts in a semantic space and flags any significant deviation as a potential threat. Unlike prior methods, it requires no training on harmful examples, yet achieves state-of-the-art performance across 18 benchmarks spanning toxicity, hate speech, jailbreaking, multilingual harms, and over-refusal, reducing false positive rates by up to 40x relative to specialized safety models. A single model trained only on safe English text transfers effectively to diverse domains and over 14 languages without retraining. Finally, we demonstrate production readiness by integrating a GPU-optimized version into vLLM, enabling continuous guardrailing during token generation with less than 6% overhead even under dense evaluation intervals on large-scale workloads.

Vikash Singh, Weicong Chen, Debargha Ganguly et al.

Estimating treatment effects from observational data requires choosing an adjustment set, but valid adjustment depends on an unknown causal graph. Graph misspecification can cause under-coverage, while graph-agnostic conformal wrappers may regain nominal coverage only through large padding. We introduce CausalGuard, a structure-weighted conformal framework that calibrates after aggregating graph-conditional doubly robust pseudo-outcomes. Candidate DAGs are proposed from an LLM-derived edge prior, pruned by conditional-independence tests, and reweighted by Bayesian Information Criterion. A composite nonconformity score then calibrates the posterior-weighted pseudo-outcome. CausalGuard provides distribution-free finite-sample marginal coverage for this aggregated pseudo-outcome; under causal identification, overlap, conditional-mean nuisance stability, and concentration on target-aligned valid adjustment strategies, its conditional mean converges to the true Conditional Average Treatment Effect. Across five benchmarks, CausalGuard attains mean coverage above the nominal 90% level for the directly evaluable target and reduces width when graph-agnostic conformal baselines require large padding. Stress tests show that CausalGuard suppresses invalid collider adjustment and remains stable under misspecified priors when the retained candidate set is data-supported.

Osama Zafar, Alexander Nemecek, Yiqian Zhang et al.

Standard PII filters often miss contextual data leakage in RAG systems, such as non-regulated attribute clusters that collectively identify individuals. We introduce a Privacy Policy Enforcement (PPE) framework using dual one-class density estimators with fused text embeddings and a calibrated abstain region for out-of-distribution inputs. Using an axis-stratified, multi-LLM synthetic data pipeline across medicine, finance, and law, we found that traditional Gaussian Mixture baselines fail on borderline-safe stress tests by focusing on linguistic register rather than content. Our proposed T3+OCSVM detector, trained on safe and borderline-safe data, achieves a borderline AUROC of 0.93+ while reducing false positives by 44-55 percentage points and maintaining millisecond latency. Compared to supervised MLP classifiers or 14B-parameter LLM judges, our framework offers superior operational suitability, as the former suffers from high abstention rates and the latter from latency and calibration issues. This methodology provides a robust stress-testing standard for any synthetic-data-trained classifier.

Vikash Singh, Debargha Ganguly, Weicong Chen et al.

Continual test-time adaptation (CTTA) updates a pretrained model online on an unlabeled, non-stationary stream while anchoring it to a frozen source checkpoint. This anchor is useful only when the source remains reliable. On CCC-Hard, however, a ResNet-50 source falls to approximately $1.3\%$ top-$1$ accuracy, while existing source-anchored CTTA methods continue applying the same anchor strength. We call this failure mode blind anchoring and propose RMemSafe, a reliability-gated extension of ROID that uses the frozen source's normalized predictive entropy to attenuate all explicit source-coupled uses in the objective. When the source posterior approaches uniformity, the gate closes: the source anchor and agreement filter vanish, and the objective reduces to a source-agnostic fallback comprising ROID's base losses plus marginal calibration. Combined with ASR, RMemSafe achieves the lowest error on $8$ of $9$ matched-split continual-corruption cells and is the best reset-based method on all $9$, improving ROID+ASR by $1.05$~pp on ResNet-50 and $0.48$~pp on ViT-B/16. A controlled source-degradation sweep shows a $1.13{\times}$ shallower harm slope than ROID+ASR, consistent with the graceful-decay prediction. The entropy gate detects high-entropy source collapse, not confidently wrong low-entropy sources; this scope is explicitly evaluated and discussed.

Yanyan Zhang, Chaoda Song, Vikash Singh et al.

Vision-Language-Action (VLA) models achieve remarkable flexibility and generalization beyond classical control paradigms. However, most prevailing VLAs are trained under a single-frame observation paradigm, which leaves them structurally blind to temporal dynamics. Consequently, these models degrade severely in non-stationary scenarios, even when trained or finetuned on dynamic datasets. Existing approaches either require expensive retraining or suffer from latency bottlenecks and poor temporal consistency across action chunks. We propose Pace-and-Path Correction, a training-free, closed-form inference-time operator that wraps any chunked-action VLA. From a single quadratic cost, joint minimization yields a unified solution that decomposes orthogonally into two distinct channels. The pace channel compresses execution along the planned direction, while the path channel applies an orthogonal spatial offset, jointly absorbing the perceived dynamics within the chunk window. We evaluate our approach on a comprehensive diagnostic benchmark MoveBench designed to isolate motion as the sole controlled variable. Empirical results demonstrate that our framework consistently outperforms state-of-the-art training-free wrappers and dynamic-adaptive methods and improves success rates by up to 28.8% and 25.9% in absolute terms over foundational VLA models in dynamic-only and static-dynamic mixed environments, respectively.

Shouren Wang, Wang Yang, Chuang Ma et al.

Hybrid-thinking language models expose explicit think and no-think modes, but current designs do not separate them cleanly. Even in no-think mode, models often emit long and self-reflective responses, causing reasoning leakage. Existing work reduces this issue through better data curation and multi-stage training, yet leakage remains because both modes are still encoded in the same feed-forward parameters. We propose Path-Lock Expert (PLE), an architecture-level solution that replaces the single MLP in each decoder layer with two semantically locked experts, one for think and one for no-think, while keeping attention, embeddings, normalization, and the language-model head shared. A deterministic control-token router selects exactly one expert path for the entire sequence, so inference preserves the dense model's per-token computation pattern and each expert receives mode-pure updates during supervised fine-tuning. Across math and science reasoning benchmarks, PLE maintains strong think performance while producing a substantially stronger no-think mode that is more accurate, more concise, and far less prone to reasoning leakage. On Qwen3-4B, for example, PLE reduces no-think reflective tokens on AIME24 from 2.54 to 0.39 and improves no-think accuracy from 20.67% to 40.00%, all while preserving think-mode performance. These results suggest that controllable hybrid thinking is fundamentally an architectural problem, and separating mode-specific feed-forward pathways is a simple and effective solution.

Vincent Davis, Emanuele Rossi, Vikash Singh

The Bitcoin Lightning Network is a Layer 2 payment protocol that addresses Bitcoin's scalability by facilitating quick and cost effective transactions through payment channels. This research explores the feasibility of using machine learning models to interpolate channel balances within the network, which can be used for optimizing the network's pathfinding algorithms. While there has been much exploration in balance probing and multipath payment protocols, predicting channel balances using solely node and channel features remains an uncharted area. This paper evaluates the performance of several machine learning models against two heuristic baselines and investigates the predictive capabilities of various features. Our model performs favorably in experimental evaluation, outperforming by 10% against an equal split baseline where both edges are assigned half of the channel capacity.

Vikash Singh, Darion Cassel, Nathaniel Weir et al.

Despite the syntactic fluency of Large Language Models (LLMs), ensuring their logical correctness in high-stakes domains remains a fundamental challenge. We present a neurosymbolic framework that combines LLMs with SMT solvers to produce verification-guided answers through iterative refinement. Our approach decomposes LLM outputs into atomic claims, autoformalizes them into first-order logic, and verifies their logical consistency using automated theorem proving. We introduce three key innovations: (1) multi-model consensus via formal semantic equivalence checking to ensure logic-level alignment between candidates, eliminating the syntactic bias of surface-form metrics, (2) semantic routing that directs different claim types to appropriate verification strategies: symbolic solvers for logical claims and LLM ensembles for commonsense reasoning, and (3) precise logical error localization via Minimal Correction Subsets (MCS), which pinpoint the exact subset of claims to revise, transforming binary failure signals into actionable feedback. Our framework classifies claims by their logical status and aggregates multiple verification signals into a unified score with variance-based penalty. The system iteratively refines answers using structured feedback until acceptance criteria are met or convergence is achieved. This hybrid approach delivers formal guarantees where possible and consensus verification elsewhere, advancing trustworthy AI. With the GPT-OSS-120B model, VERGE demonstrates an average performance uplift of 18.7% at convergence across a set of reasoning benchmarks compared to single-pass approaches.

Vikash Singh

We present Transfer Orthology Networks (TRON), a novel neural network architecture designed for cross-species transfer learning. TRON leverages orthologous relationships, represented as a bipartite graph between species, to guide knowledge transfer. Specifically, we prepend a learned species conversion layer, whose weights are masked by the biadjacency matrix of this bipartite graph, to a pre-trained feedforward neural network that predicts a phenotype from gene expression data in a source species. This allows for efficient transfer of knowledge to a target species by learning a linear transformation that maps gene expression from the source to the target species' gene space. The learned weights of this conversion layer offer a potential avenue for interpreting functional orthology, providing insights into how genes across species contribute to the phenotype of interest. TRON offers a biologically grounded and interpretable approach to cross-species transfer learning, paving the way for more effective utilization of available transcriptomic data. We are in the process of collecting cross-species transcriptomic/phenotypic data to gain experimental validation of the TRON architecture.

Biyao Zhang, Mingkai Zheng, Debargha Ganguly et al.

Training Large Language Models(LLMs) is one of the most compute-intensive tasks in high-performance computing. Predicting end-to-end training time for multi-billion parameter models distributed across hundreds of GPUs remains challenging due to complex interactions between transformer components, parallelism strategies(data, model, pipeline, tensor), and multi-tier communication. Learned models require costly sampling, while analytical models often struggle with real-world network and hardware complexities. We address this by decomposing LLMs into core computational primitives and modeling them with: (1) operator-level decomposition for fine-grained analysis; (2) lightweight sampling based hardware-aware prediction models for key operations; (3) an end-to-end prediction system integrating these components across complex parallelization strategies. Crucially, our methodology has been validated on two large-scale HPC systems. Our framework achieves low average prediction errors-4.98\% on Perlmutter(A100) and 9.38\% on Vista(GH200)-for models up to 20B parameters across 128 GPUs. Importantly, it runs entirely on CPUs, enabling rapid iteration over hardware configurations and training strategies without costly on-cluster experimentation.

Weicong Chen, Vikash Singh, Zahra Rahmani et al.

Existing Log Anomaly Detection (LogAD) methods are often slow, dependent on error-prone parsing, and use unrealistic evaluation protocols. We introduce $K^4$, an unsupervised and parser-independent framework for high-performance online detection. $K^4$ transforms arbitrary log embeddings into compact four-dimensional descriptors (Precision, Recall, Density, Coverage) using efficient k-nearest neighbor (k-NN) statistics. These descriptors enable lightweight detectors to accurately score anomalies without retraining. Using a more realistic online evaluation protocol, $K^4$ sets a new state-of-the-art (AUROC: 0.995-0.999), outperforming baselines by large margins while being orders of magnitude faster, with training under 4 seconds and inference as low as 4 $μ$s.

Lucie Charlotte Magister, Dmitry Kazhdan, Vikash Singh et al.

While graph neural networks (GNNs) have been shown to perform well on graph-based data from a variety of fields, they suffer from a lack of transparency and accountability, which hinders trust and consequently the deployment of such models in high-stake and safety-critical scenarios. Even though recent research has investigated methods for explaining GNNs, these methods are limited to single-instance explanations, also known as local explanations. Motivated by the aim of providing global explanations, we adapt the well-known Automated Concept-based Explanation approach (Ghorbani et al., 2019) to GNN node and graph classification, and propose GCExplainer. GCExplainer is an unsupervised approach for post-hoc discovery and extraction of global concept-based explanations for GNNs, which puts the human in the loop. We demonstrate the success of our technique on five node classification datasets and two graph classification datasets, showing that we are able to discover and extract high-quality concept representations by putting the human in the loop. We achieve a maximum completeness score of 1 and an average completeness score of 0.753 across the datasets. Finally, we show that the concept-based explanations provide an improved insight into the datasets and GNN models compared to the state-of-the-art explanations produced by GNNExplainer (Ying et al., 2019).

Amine Amor, Pietro Lio', Vikash Singh et al.

Combining different modalities of data from human tissues has been critical in advancing biomedical research and personalised medical care. In this study, we leverage a graph embedding model (i.e VGAE) to perform link prediction on tissue-specific Gene-Gene Interaction (GGI) networks. Through ablation experiments, we prove that the combination of multiple biological modalities (i.e multi-omics) leads to powerful embeddings and better link prediction performances. Our evaluation shows that the integration of gene methylation profiles and RNA-sequencing data significantly improves the link prediction performance. Overall, the combination of RNA-sequencing and gene methylation data leads to a link prediction accuracy of 71% on GGI networks. By harnessing graph representation learning on multi-omics data, our work brings novel insights to the current literature on multi-omics integration in bioinformatics.

Guillaume Verdon, Trevor McCourt, Enxhell Luzhnica et al.

We introduce Quantum Graph Neural Networks (QGNN), a new class of quantum neural network ansatze which are tailored to represent quantum processes which have a graph structure, and are particularly suitable to be executed on distributed quantum systems over a quantum network. Along with this general class of ansatze, we introduce further specialized architectures, namely, Quantum Graph Recurrent Neural Networks (QGRNN) and Quantum Graph Convolutional Neural Networks (QGCNN). We provide four example applications of QGNNs: learning Hamiltonian dynamics of quantum systems, learning how to create multipartite entanglement in a quantum network, unsupervised learning for spectral clustering, and supervised learning for graph isomorphism classification.

Vikash Singh, Pietro Lio'

Disease-gene prediction (DGP) refers to the computational challenge of predicting associations between genes and diseases. Effective solutions to the DGP problem have the potential to accelerate the therapeutic development pipeline at early stages via efficient prioritization of candidate genes for various diseases. In this work, we introduce the variational graph auto-encoder (VGAE) as a promising unsupervised approach for learning powerful latent embeddings in disease-gene networks that can be used for the DGP problem, the first approach using a generative model involving graph neural networks (GNNs). In addition to introducing the VGAE as a promising approach to the DGP problem, we further propose an extension (constrained-VGAE or C-VGAE) which adapts the learning algorithm for link prediction between two distinct node types in heterogeneous graphs. We evaluate and demonstrate the effectiveness of the VGAE on general link prediction in a disease-gene association network and the C-VGAE on disease-gene prediction in the same network, using popular random walk driven methods as baselines. While the methodology presented demonstrates potential solely based on utilizing the topology of a disease-gene association network, it can be further enhanced and explored through the integration of additional biological networks such as gene/protein interaction networks and additional biological features pertaining to the diseases and genes represented in the disease-gene association network.